The following contains the G2-1 and G2-2 neutral test sets in cartesian 
coordinates.

Reference:  "Assessment of Gaussian-2 and Density Functional Theories
for the Computation of Enthalpies of Formation" by Larry A. Curtiss, 
Krishnan Raghavachari, Paul Redfern, and John A. Pople, 
J. Chem. Phys. Vol. 106, 1063 (1997).

Coordinates in cartesian coordinates (angstroms)

------------------------------------------------------------------
G2-1 neutral test set
55 molecules
MP2(full)/6-31G(d) optimized geometries
------------------------------------------------------------------

 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Lithium hydride (LiH), C*v symm. MP2(full)/6-31G* Geom. MP2=-7.9965108

    0 1
   3            .000000     .000000     .410000
   1            .000000     .000000   -1.230000


 --link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Beryllium hydride (BeH), D*h symm. MP2(full)/6-31G* Geom. MP2=-15.171
 409

    0 2
   4            .000000     .000000     .269654
   1            .000000     .000000   -1.078616


--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 CH radical. Doublet, C*v symm. MP2(full)/6-31G* Geom. MP2=-38.3423986

    0 2
   6            .000000     .000000     .160074
   1            .000000     .000000    -.960446

--link1--
 # mp2(full)/6-31g*

 Triplet methylene (CH2), C2v symm, 3-B1. MP2(full)/6-31G* Geom. MP2=-3
 9.0074352

 0 3
 6            .000000     .000000     .110381
 1            .000000     .982622    -.331142
 1            .000000    -.982622    -.331142
 

--link1--
 # mp2(full)/6-31g*

 Singlet methylene (CH2), C2v symm, 1-A1. MP2(full)/6-31G* Geom. MP2=-3
 8.9740078

 0 1
 6            .000000     .000000     .174343
 1            .000000     .862232    -.523029
 1            .000000    -.862232    -.523029
 
--link1--
 %mem=4000000
 # mp2(full)/6-31g*

 Methyl radical (CH3), D3h symm. MP2(full)/6-31G* Geom. MP2=-39.6730312

 0 2
   6            .000000     .000000     .000000
   1            .000000    1.078410     .000000
   1            .933930    -.539205     .000000
   1           -.933930    -.539205     .000000


--link1--
 %mem=4000000
 # mp2(full)/6-31g*

 Methane (CH4), Td symm. MP2(full)/6-31G* Geom. MP2=-40.3370426

 0 1
 6            .000000     .000000     .000000
 1            .629118     .629118     .629118
 1           -.629118    -.629118     .629118
 1            .629118    -.629118    -.629118
 1           -.629118     .629118    -.629118

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 NH, triplet, C*v symm. MP2(full)/6-31G* Geom. MP2=-55.0614242

    0 3
7            .000000     .000000     .129929
1            .000000     .000000    -.909501

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 NH2 radical, C2v symm, 2-B1. MP2(full)/6-31G* Geom. MP2=-55.6937452

    0 2
7            .000000     .000000     .141690
1            .000000     .806442    -.495913
1            .000000    -.806442    -.495913

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Ammonia (NH3), C3v symm. MP2(full)/6-31G* Geom. MP2=-56.3573777

    0 1
7            .000000     .000000     .116489
1            .000000     .939731    -.271808
1            .813831    -.469865    -.271808
1           -.813831    -.469865    -.271808

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 OH radical, C*v symm. MP2(full)/6-31G* Geom. MP2=-75.5232063

    0 2
8            .000000     .000000     .108786
1            .000000     .000000    -.870284

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Water (H2O), C2v symm. MP2(full)/6-31G* Geom. MP2=-76.1992442

    0 1
8            .000000     .000000     .119262
1            .000000     .763239    -.477047
1            .000000    -.763239    -.477047

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Hydrogen fluoride (HF), C*v symm. MP2(full)/6-31G* Geom. MP2=-100.1841
 614

    0 1
9            .000000     .000000     .093389
1            .000000     .000000    -.840502

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Singlet silylene (SiH2), C2v symm, 1-A1. MP2(full)/6-31G* Geom. MP2=-2
 90.0772034

    0 1
14            .000000     .000000     .131272
1            .000000    1.096938    -.918905
1            .000000   -1.096938    -.918905

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Triplet silylene (SiH2), C2v symm, 3-B1. MP2(full)/6-31G* Geom. MP2=-2
 90.0561783

    0 3
14            .000000     .000000     .094869
1            .000000    1.271862    -.664083
1            .000000   -1.271862    -.664083

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Silyl radical (SiH3), C3v symm. MP2(full)/6-31G* Geom. MP2=-290.684156
 3

    0 2
14            .000000     .000000     .079299
1            .000000    1.413280    -.370061
1           1.223937    -.706640    -.370061
1          -1.223937    -.706640    -.370061

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Silane (SiH4), Td symm. MP2(full)/6-31G* Geom. MP2=-291.3168497

    0 1
14            .000000     .000000     .000000
1            .856135     .856135     .856135
1           -.856135    -.856135     .856135
1           -.856135     .856135    -.856135
1            .856135    -.856135    -.856135

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 PH2 radical, C2v symm. MP2(full)/6-31G* Geom. MP2=-341.9457892

    0 2
15            .000000     .000000     .115396
1            .000000    1.025642    -.865468
1            .000000   -1.025642    -.865468

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Phosphine (PH3), C3v symm. MP2(full)/6-31G* Geom. MP2=-342.562259

    0 1
15            .000000     .000000     .124619
1            .000000    1.200647    -.623095
1           1.039791    -.600323    -.623095
1          -1.039791    -.600323    -.623095

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Hydrogen sulfide (H2S), C2v symm. MP2(full)/6-31G* Geom. MP2=-398.7986
 975

    0 1
16            .000000     .000000     .102135
1            .000000     .974269    -.817083
1            .000000    -.974269    -.817083

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Hydrogen chloride (HCl), C*v symm. MP2(full)/6-31G* Geom. MP2=-460.202
 1493

    0 1
17            .000000     .000000     .071110
1            .000000     .000000   -1.208868

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Dilithium (Li2), D*h symm. MP2(full)/6-31G* Geom. MP2=-14.8868485

    0 1
3            .000000     .000000    1.386530
3            .000000     .000000   -1.386530

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Lithium Fluoride (LiF), C*v symm. MP2(full)/6-31G* Geom. MP2=-107.1294
 652

    0 1
3            .000000     .000000   -1.174965
9            .000000     .000000     .391655

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Acetylene (C2H2), D*h symm. MP2(full)/6-31G* Geom. MP2=-77.0762154

    0 1
6            .000000     .000000     .608080
6            .000000     .000000    -.608080
1            .000000     .000000   -1.673990
1            .000000     .000000    1.673990

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Ethylene (H2C=CH2), D2h symm. MP2(full)/6-31G* Geom. MP2=-78.2942862

    0 1
6            .000000     .000000     .667480
6            .000000     .000000    -.667480
1            .000000     .922832    1.237695
1            .000000    -.922832    1.237695
1            .000000     .922832   -1.237695
1            .000000    -.922832   -1.237695

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Ethane (H3C-CH3), D3d symm. MP2(full)/6-31G* Geom. MP2=-79.5039697

    0 1
6            .000000     .000000     .762209
6            .000000     .000000    -.762209
1            .000000    1.018957    1.157229
1           -.882443    -.509479    1.157229
1            .882443    -.509479    1.157229
1            .000000   -1.018957   -1.157229
1           -.882443     .509479   -1.157229
1            .882443     .509479   -1.157229

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Cyano radical (CN), C*v symm, 2-Sigma+. MP2(full)/6-31G* Geom. MP2=-92
 .441963

    0 2
6            .000000     .000000    -.611046
7            .000000     .000000     .523753

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Hydrogen cyanide (HCN), C*v symm. MP2(full)/6-31G* Geom. MP2=-93.16694
 02

    0 1
6            .000000     .000000    -.511747
7            .000000     .000000     .664461
1            .000000     .000000   -1.580746

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Carbon monoxide (CO), C*v symm. MP2(full)/6-31G* Geom. MP2=-113.028179
 5

    0 1
8            .000000     .000000     .493003
6            .000000     .000000    -.657337

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 HCO radical, Bent Cs symm. MP2(full)/6-31G* Geom. MP2=-113.540332

    0 2
6            .062560     .593926     .000000
8            .062560    -.596914     .000000
1           -.875835    1.211755     .000000

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Formaldehyde (H2C=O), C2v symm. MP2(full)/6-31G* Geom. MP2=-114.174957
 8

    0 1
8            .000000     .000000     .683501
6            .000000     .000000    -.536614
1            .000000     .934390   -1.124164
1            .000000    -.934390   -1.124164

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Methanol (CH3-OH), Cs symm. MP2(full)/6-31G* Geom. MP2=-115.3532948

    0 1
6           -.047131     .664389     .000000
8           -.047131    -.758551     .000000
1          -1.092995     .969785     .000000
1            .878534   -1.048458     .000000
1            .437145    1.080376     .891772
1            .437145    1.080376    -.891772

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 N2 molecule, D*h symm. MP2(full)/6-31G* Geom. MP2=-109.2615742

    0 1
7            .000000     .000000     .564990
7            .000000     .000000    -.564990

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Hydrazine (H2N-NH2), C2 symm. MP2(full)/6-31G* Geom. MP2=-111.5043953

    0 1
7            .000000     .718959    -.077687
7            .000000    -.718959    -.077687
1            .211082    1.092752     .847887
1           -.948214    1.005026    -.304078
1           -.211082   -1.092752     .847887
1            .948214   -1.005026    -.304078

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 NO radical, C*v symm, 2-Pi. MP2(full)/6-31G* Geom. MP2=-129.564464

    0 2
7            .000000     .000000    -.609442
8            .000000     .000000     .533261

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 O2 molecule, D*h symm, Triplet. MP2(full)/6-31G* Geom. MP2=-149.954319
 7

    0 3
8            .000000     .000000     .622978
8            .000000     .000000    -.622978

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Hydrogen peroxide (HO-OH), C2 symm. MP2(full)/6-31G* Geom. MP2=-151.13
 49184

    0 1
8            .000000     .734058    -.052750
8            .000000    -.734058    -.052750
1            .839547     .880752     .422001
1           -.839547    -.880752     .422001

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 F2 molecule, D*h symm. MP2(full)/6-31G* Geom. MP2=-199.0388236

    0 1
9            .000000     .000000     .710304
9            .000000     .000000    -.710304

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Carbon dioxide (CO2), D*h symm. MP2(full)/6-31G* Geom. MP2=-188.118363
 3

    0 1
6            .000000     .000000     .000000
8            .000000     .000000    1.178658
8            .000000     .000000   -1.178658

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Disodium (Na2), D*h symm. MP2(full)/6-31G* Geom. MP2=-323.7039996

    0 1
11            .000000     .000000    1.576262
11            .000000     .000000   -1.576262

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Si2 molecule, D*h symm, Triplet (3-Sigma-G-). MP2(full)/6-31G* Geom. M
 P2=-577.8606556

    0 3
14            .000000     .000000    1.130054
14            .000000     .000000   -1.130054

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 P2 molecule, D*h symm. MP2(full)/6-31G* Geom. MP2=-681.6646966

    0 1
15            .000000     .000000     .966144
15            .000000     .000000    -.966144

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 S2 molecule, D*h symm, triplet. MP2(full)/6-31G* Geom. MP2=-795.262813
 1

    0 3
16            .000000     .000000     .960113
16            .000000     .000000    -.960113

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Cl2 molecule, D*h symm. MP2(full)/6-31G* Geom. MP2=-919.191224

    0 1
17            .000000     .000000    1.007541
17            .000000     .000000   -1.007541

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Sodium Chloride (NaCl), C*v symm. MP2(full)/6-31G* Geom. MP2=-621.5463
 469

    0 1
11            .000000     .000000   -1.451660
17            .000000     .000000     .939310

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Silicon monoxide (SiO), C*v symm. MP2(full)/6-31G* Geom. MP2=-364.0594
 076

    0 1
14            .000000     .000000     .560846
8            .000000     .000000    -.981480

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Carbon monosulfide (CS), C*v symm. MP2(full)/6-31G* Geom. MP2=-435.557
 6809

    0 1
6            .000000     .000000   -1.123382
16            .000000     .000000     .421268

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Sulfur monoxide (SO), C*v symm, triplet. MP2(full)/6-31G* Geom. MP2=-4
 72.6266876

    0 3
8            .000000     .000000   -1.015992
16            .000000     .000000     .507996

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 ClO radical, C*v symm, 2-PI. MP2(full)/6-31G* Geom. MP2=-534.5186484

    0 2
17            .000000     .000000     .514172
8            .000000     .000000   -1.092615

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 ClF molecule, C*v symm, 1-SG. MP2(full)/6-31G* Geom. MP2=-559.1392996

    0 1
9            .000000     .000000   -1.084794
17            .000000     .000000     .574302

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Disilane (H3Si-SiH3), D3d symm. MP2(full)/6-31G* Geom. MP2=-581.485106
 7

    0 1
14            .000000     .000000    1.167683
14            .000000     .000000   -1.167683
1            .000000    1.393286    1.686020
1          -1.206621    -.696643    1.686020
1           1.206621    -.696643    1.686020
1            .000000   -1.393286   -1.686020
1          -1.206621     .696643   -1.686020
1           1.206621     .696643   -1.686020

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Methyl chloride (CH3Cl), C3v symm. MP2(full)/6-31G* Geom. MP2=-499.369
 0844

    0 1
6            .000000     .000000   -1.121389
17            .000000     .000000     .655951
1            .000000    1.029318   -1.474280
1            .891415    -.514659   -1.474280
1           -.891415    -.514659   -1.474280

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Methanethiol (H3C-SH), Staggered, Cs symm. MP2(full)/6-31G* Geom. MP2=
 -437.9678831

    0 1
6           -.047953    1.149519     .000000
16           -.047953    -.664856     .000000
1           1.283076    -.823249     .000000
1          -1.092601    1.461428     .000000
1            .432249    1.551207     .892259
1            .432249    1.551207    -.892259

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 HOCl molecule, Cs symm. MP2(full)/6-31G* Geom. MP2=-535.1694444

    0 1
8            .036702    1.113517     .000000
1           -.917548    1.328879     .000000
17            .036702    -.602177     .000000

------------------------------------------------------------------
G2-2 neutral test set
93 molecules
MP2(full)/6-31G(d) optimized geometries
------------------------------------------------------------------

--link1--
 %mem=4000000
 # mp2(full)/6-31g* scf=direct

 Sulfur dioxide (SO2), C2v symm. MP2(full)/6-31G* Geom. MP2=-547.700099

    0 1
16            .000000     .000000     .370268
8            .000000    1.277617    -.370268
8            .000000   -1.277617    -.370268

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 BF3, Planar D3h symm. MP2(full)/6-31G* geom. MP2=-323.7915374.

0 1
5            .000000     .000000     .000000
9            .000000    1.321760     .000000
9           1.144678    -.660880     .000000
9          -1.144678    -.660880     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 BCl3, Planar D3h symm. MP2(full)/6-31G* geom. MP2=-1403.7595806

0 1
5            .000000     .000000     .000000
17            .000000    1.735352     .000000
17           1.502859    -.867676     .000000
17          -1.502859    -.867676     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 AlF3, Planar D3h symm. MP2(full)/6-31G* geom. MP2=-541.0397296

0 1
13            .000000     .000000     .000000
9            .000000    1.644720     .000000
9           1.424369    -.822360     .000000
9          -1.424369    -.822360     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 AlCl3, Planar D3h symm. MP2(full)/6-31G* geom. MP2=-1621.0484142

0 1
13            .000000     .000000     .000000
17            .000000    2.069041     .000000
17           1.791842   -1.034520     .000000
17          -1.791842   -1.034520     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CF4, Td symm. MP2(full)/6-31G* geom. MP2=-436.4622308

0 1
6            .000000     .000000     .000000
9            .767436     .767436     .767436
9           -.767436    -.767436     .767436
9           -.767436     .767436    -.767436
9            .767436    -.767436    -.767436

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CCl4, Td symm. MP2(full)/6-31G* geom. MP2=-1876.4528012

0 1
6            .000000     .000000     .000000
17           1.021340    1.021340    1.021340
17          -1.021340   -1.021340    1.021340
17          -1.021340    1.021340   -1.021340
17           1.021340   -1.021340   -1.021340

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 O=C=S, Linear, C*v symm. MP2(full)/6-31G* geom. MP2=-510.704382

0 1
8            .000000     .000000   -1.699243
6            .000000     .000000    -.520492
16            .000000     .000000    1.044806

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CS2, Linear, D*h symm. MP2(full)/6-31G* geom. MP2=-833.2916974

0 1
16            .000000     .000000    1.561117
6            .000000     .000000     .000000
16            .000000     .000000   -1.561117

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 COF2, C2v symm. MP2(full)/6-31G* geom. MP2=-312.2651646

0 1
8            .000000     .000000    1.330715
6            .000000     .000000     .144358
9            .000000    1.069490    -.639548
9            .000000   -1.069490    -.639548

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 SiF4, Td symm. MP2(full)/6-31G* geom. MP2=-687.7406597

0 1
14            .000000     .000000     .000000
9            .912806     .912806     .912806
9           -.912806    -.912806     .912806
9           -.912806     .912806    -.912806
9            .912806    -.912806    -.912806

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 SiCl4, Td symm. MP2(full)/6-31G* geom. MP2=-2127.6916411

0 1
14            .000000     .000000     .000000
17           1.169349    1.169349    1.169349
17          -1.169349   -1.169349    1.169349
17           1.169349   -1.169349   -1.169349
17          -1.169349    1.169349   -1.169349

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 N2O, Cs symm. MP2(full)/6-31G* geom. MP2=-184.2136838

0 1
7            .000000     .000000   -1.231969
7            .000000     .000000    -.060851
8            .000000     .000000    1.131218

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 ClNO, Cs symm. MP2(full)/6-31G* geom. MP2=-589.1833856

0 1
17           -.537724    -.961291     .000000
7            .000000     .997037     .000000
8           1.142664    1.170335     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 NF3, C3v symm. MP2(full)/6-31G* geom. MP2=-353.2366115

0 1
7            .000000     .000000     .489672
9            .000000    1.238218    -.126952
9           1.072328    -.619109    -.126952
9          -1.072328    -.619109    -.126952

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 PF3, C3v symm. MP2(full)/6-31G* geom. MP2=-639.7725739

0 1
15            .000000     .000000     .506767
9            .000000    1.383861    -.281537
9           1.198459    -.691931    -.281537
9          -1.198459    -.691931    -.281537

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 O3 (Ozone), C2v symm. MP2(full)/6-31G* geom. MP2=-224.8767539

0 1
8            .000000    1.103810    -.228542
8            .000000     .000000     .457084
8            .000000   -1.103810    -.228542

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 F2O, C2v symm. MP2(full)/6-31G* geom. MP2=-273.9997434

0 1
9            .000000    1.110576    -.273729
8            .000000     .000000     .615890
9            .000000   -1.110576    -.273729

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 ClF3, C2v symm. MP2(full)/6-31G* geom. -758.2017685

0 1
17            .000000     .000000     .376796
9            .000000     .000000   -1.258346
9            .000000    1.714544     .273310
9            .000000   -1.714544     .273310

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 C2F4 (F2C=CF2), D2H symm. MP2(full)/6-31G* geom. MP2=-474.3606919

0 1
6            .000000     .000000     .663230
6            .000000     .000000    -.663230
9            .000000    1.112665    1.385652
9            .000000   -1.112665    1.385652
9            .000000    1.112665   -1.385652
9            .000000   -1.112665   -1.385652

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 C2Cl4 (Cl2C=CCl2), D2h symm. MP2(full)/6-31G* geom. MP2=-1914.4397862

0 1
6            .000000     .000000     .675402
6            .000000     .000000    -.675402
17            .000000    1.448939    1.589701
17            .000000   -1.448939    1.589701
17            .000000   -1.448939   -1.589701
17            .000000    1.448939   -1.589701

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CF3CN, C3v symm. MP2(full)/6-31G* geom. MP2=-429.4170926

0 1
6            .000000     .000000    -.326350
6            .000000     .000000    1.150830
9            .000000    1.257579    -.787225
9           1.089096    -.628790    -.787225
9          -1.089096    -.628790    -.787225
7            .000000     .000000    2.329741

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Propyne (C3H4), C3v symm. MP2(full)/6-31G* geom. MP2=-116.2562366

0 1
6            .000000     .000000     .214947
6            .000000     .000000    1.433130
6            .000000     .000000   -1.246476
1            .000000     .000000    2.498887
1            .000000    1.021145   -1.636167
1            .884337    -.510572   -1.636167
1           -.884337    -.510572   -1.636167

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Allene (C3H4), D2d symm. MP2(full)/6-31G* geom. MP2=-116.2485221

0 1
6            .000000     .000000     .000000
6            .000000     .000000    1.311190
6            .000000     .000000   -1.311190
1            .000000     .926778    1.876642
1            .000000    -.926778    1.876642
1            .926778     .000000   -1.876642
1           -.926778     .000000   -1.876642

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Cyclopropene (C3H4), C2v symm. MP2(full)/6-31G* geom. MP2=-116.2195708

0 1
6            .000000     .000000     .858299
6            .000000    -.650545    -.498802
6            .000000     .650545    -.498802
1            .912438     .000000    1.456387
1           -.912438     .000000    1.456387
1            .000000   -1.584098   -1.038469
1            .000000    1.584098   -1.038469

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Propene (C3H6), Cs symm. MP2(full)/6-31G* geom. MP2=-117.4696582

0 1
6           1.291290     .133682     .000000
6            .000000     .479159     .000000
1           1.601160    -.907420     .000000
1           2.080800     .877337     .000000
1           -.263221    1.536098     .000000
6          -1.139757    -.492341     .000000
1           -.776859   -1.523291     .000000
1          -1.775540    -.352861     .880420
1          -1.775540    -.352861    -.880420

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Cyclopropane (C3H6), D3h symm. MP2(full)/6-31G* geom. MP2=-117.4628345

0 1
6            .000000     .866998     .000000
6            .750842    -.433499     .000000
6           -.750842    -.433499     .000000
1            .000000    1.455762     .910526
1            .000000    1.455762    -.910526
1           1.260727    -.727881    -.910526
1           1.260727    -.727881     .910526
1          -1.260727    -.727881     .910526
1          -1.260727    -.727881    -.910526

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Propane (C3H8), C2v symm. MP2(full)/6-31G* geom. MP2=-118.6744132

0 1
6            .000000     .000000     .587716
6            .000000    1.266857    -.260186
6            .000000   -1.266857    -.260186
1           -.876898     .000000    1.244713
1            .876898     .000000    1.244713
1            .000000    2.166150     .362066
1            .000000   -2.166150     .362066
1            .883619    1.304234    -.904405
1           -.883619    1.304234    -.904405
1           -.883619   -1.304234    -.904405
1            .883619   -1.304234    -.904405

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Trans-1,3-butadiene (C4H6), C2h symm. MP2(full)/6-31G* geom. MP2=-155.
 4417118

0 1
6            .605711    1.746550     .000000
6            .605711     .404083     .000000
6           -.605711    -.404083     .000000
6           -.605711   -1.746550     .000000
1           1.527617    2.317443     .000000
1           -.321132    2.313116     .000000
1           1.553503    -.133640     .000000
1          -1.553503     .133640     .000000
1            .321132   -2.313116     .000000
1          -1.527617   -2.317443     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Dimethylacetylene (2-butyne, C4H6), D3h symm (eclipsed). MP2(full)/6-3
 1G* Geom. MP2= -155.435151.

0 1
6            .000000     .000000    2.071955
6            .000000     .000000     .609970
6            .000000     .000000    -.609970
6            .000000     .000000   -2.071955
1            .000000    1.020696    2.464562
1           -.883949    -.510348    2.464562
1            .883949    -.510348    2.464562
1            .000000    1.020696   -2.464562
1            .883949    -.510348   -2.464562
1           -.883949    -.510348   -2.464562

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Methylenecyclopropane (C4H6), C2v symm. MP2(full)/6-31G* Geom. MP2=-15
 5.4160189

0 1
6            .000000     .000000     .315026
6            .000000    -.767920    -.932032
6            .000000     .767920    -.932032
6            .000000     .000000    1.640027
1           -.912794   -1.271789   -1.239303
1            .912794   -1.271789   -1.239303
1            .912794    1.271789   -1.239303
1           -.912794    1.271789   -1.239303
1            .000000    -.926908    2.205640
1            .000000     .926908    2.205640

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Bicyclo[1.1.0]butane (C4H6), C2v symm. MP2(full)/6-31G* Geom. MP2=-155
 .4094811

0 1
6            .000000    1.131343     .310424
6            .000000   -1.131343     .310424
6            .747952     .000000    -.311812
6           -.747952     .000000    -.311812
1            .000000    1.237033    1.397617
1            .000000    2.077375    -.227668
1            .000000   -1.237033    1.397617
1            .000000   -2.077375    -.227668
1           1.414410     .000000   -1.161626
1          -1.414410     .000000   -1.161626

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Cyclobutene (C4H6), C2v symm. MP2(full)/6-31G* geom. MP2=-155.4293322

0 1
6            .000000    -.672762     .811217
6            .000000     .672762     .811217
6            .000000    -.781980    -.696648
6            .000000     .781980    -.696648
1            .000000   -1.422393    1.597763
1            .000000    1.422393    1.597763
1           -.889310   -1.239242   -1.142591
1            .889310   -1.239242   -1.142591
1            .889310    1.239242   -1.142591
1           -.889310    1.239242   -1.142591

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Cyclobutane (C4H8), D2d symm. MP2(full)/6-31G* geom. MP2=-156.6370628

0 1
6            .000000    1.071142     .147626
6            .000000   -1.071142     .147626
6          -1.071142     .000000    -.147626
6           1.071142     .000000    -.147626
1            .000000    1.986858    -.450077
1            .000000    1.342921    1.207520
1            .000000   -1.986858    -.450077
1            .000000   -1.342921    1.207520
1          -1.986858     .000000     .450077
1          -1.342921     .000000   -1.207520
1           1.986858     .000000     .450077
1           1.342921     .000000   -1.207520

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Isobutene (C4H8), Single bonds trans, C2v symm. MP2(full)/6-31G* Geom.
  MP2=-156.646397

0 1
6            .000000     .000000    1.458807
6            .000000     .000000     .119588
1            .000000     .924302    2.028409
1            .000000    -.924302    2.028409
6            .000000    1.272683    -.678803
1            .000000    2.153042    -.031588
1            .880211    1.323542   -1.329592
1           -.880211    1.323542   -1.329592
6            .000000   -1.272683    -.678803
1            .000000   -2.153042    -.031588
1           -.880211   -1.323542   -1.329592
1            .880211   -1.323542   -1.329592

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Trans-butane (C4H10), C2h symm. MP2(full)/6-31G* geom. MP2=-157.844971
 6

0 1
6            .702581    1.820873     .000000
6            .702581     .296325     .000000
6           -.702581    -.296325     .000000
6           -.702581   -1.820873     .000000
1           1.719809    2.222340     .000000
1          -1.719809   -2.222340     .000000
1            .188154    2.210362     .883614
1            .188154    2.210362    -.883614
1           -.188154   -2.210362     .883614
1           -.188154   -2.210362    -.883614
1           1.247707    -.072660    -.877569
1           1.247707    -.072660     .877569
1          -1.247707     .072660    -.877569
1          -1.247707     .072660     .877569

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Isobutane (C4H10), C3v symm. MP2(full)/6-31G* geom. MP2=-157.8477683

0 1
6            .000000     .000000     .376949
1            .000000     .000000    1.475269
6            .000000    1.450290    -.096234
1            .000000    1.493997   -1.190847
1           -.885482    1.984695     .261297
1            .885482    1.984695     .261297
6           1.255988    -.725145    -.096234
1           1.293839    -.746998   -1.190847
1           2.161537    -.225498     .261297
1           1.276055   -1.759198     .261297
6          -1.255988    -.725145    -.096234
1          -1.293839    -.746998   -1.190847
1          -1.276055   -1.759198     .261297
1          -2.161537    -.225498     .261297

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Spiropentane (C5H8), D2d symm. MP2(full)/6-31G* Geom. MP2=-194.5892415

0 1
6            .000000     .000000     .000000
6            .000000     .762014    1.265752
6            .000000    -.762014    1.265752
6            .762014     .000000   -1.265752
6           -.762014     .000000   -1.265752
1           -.914023    1.265075    1.568090
1            .914023    1.265075    1.568090
1           -.914023   -1.265075    1.568090
1            .914023   -1.265075    1.568090
1           1.265075    -.914023   -1.568090
1           1.265075     .914023   -1.568090
1          -1.265075    -.914023   -1.568090
1          -1.265075     .914023   -1.568090

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Benzene (C6H6), D6h symm. MP2(full)/6-31G* geom. MP2=-231.4871881

0 1
6            .000000    1.395248     .000000
6           1.208320     .697624     .000000
6           1.208320    -.697624     .000000
6            .000000   -1.395248     .000000
6          -1.208320    -.697624     .000000
6          -1.208320     .697624     .000000
1            .000000    2.482360     .000000
1           2.149787    1.241180     .000000
1           2.149787   -1.241180     .000000
1            .000000   -2.482360     .000000
1          -2.149787   -1.241180     .000000
1          -2.149787    1.241180     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Difluoromethane (H2CF2), C2v symm. MP2(full)/6-31G* geom. MP2=-238.373
 3057

0 1
6            .000000     .000000     .502903
9            .000000    1.109716    -.290601
9            .000000   -1.109716    -.290601
1           -.908369     .000000    1.106699
1            .908369     .000000    1.106699

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Trifluoromethane (HCF3), C3v symm. MP2(full)/6-31G* geom. MP2=-337.418
 9848

0 1
6            .000000     .000000     .341023
1            .000000     .000000    1.429485
9            .000000    1.258200    -.128727
9           1.089633    -.629100    -.128727
9          -1.089633    -.629100    -.128727

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Dichloromethane (H2CCl2), C2v symm. MP2(full)/6-31G* geom. MP2=-958.40
 07187

0 1
6            .000000     .000000     .759945
17            .000000    1.474200    -.215115
17            .000000   -1.474200    -.215115
1           -.894585     .000000    1.377127
1            .894585     .000000    1.377127

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Chloroform (HCCl3), C3v symm. MP2(full)/6-31G* geom. MP2=-1417.4294497

0 1
6            .000000     .000000     .451679
1            .000000     .000000    1.537586
17            .000000    1.681723    -.083287
17           1.456415    -.840862    -.083287
17          -1.456415    -.840862    -.083287

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Methylamine (H3C-NH2), Cs symm. MP2(full)/6-31G* geom. MP2=-95.5144387

0 1
6            .051736     .704422     .000000
7            .051736    -.759616     .000000
1           -.941735    1.176192     .000000
1           -.458181   -1.099433     .812370
1           -.458181   -1.099433    -.812370
1            .592763    1.056727     .880670
1            .592763    1.056727    -.880670

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Acetonitrile (CH3-CN), C3v symm. MP2(full)/6-31G* Geom. MP2=-132.35130
 69

0 1
6            .000000     .000000   -1.186930
6            .000000     .000000     .273874
7            .000000     .000000    1.452206
1            .000000    1.024986   -1.562370
1            .887664    -.512493   -1.562370
1           -.887664    -.512493   -1.562370

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Nitromethane (CH3-NO2), Cs symm. MP2(full)/6-31G* geom. MP2=-244.34533
 46

0 1
6           -.114282   -1.314565     .000000
7            .000000     .166480     .000000
1            .899565   -1.715256     .000000
1           -.640921   -1.607212     .904956
1           -.640921   -1.607212    -.904956
8            .066748     .728232   -1.103775
8            .066748     .728232    1.103775

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Methylnitrite (CH3-O-N=O), NOCH trans, ONOC cis, Cs symm. MP2(full)/6-
 31G* Geom. MP2=-244.3391134

0 1
6          -1.316208     .309247     .000000
8            .000000     .896852     .000000
1          -1.985538    1.166013     .000000
1          -1.464336    -.304637     .890672
1          -1.464336    -.304637    -.890672
7           1.045334    -.022815     .000000
8            .686764   -1.178416     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Methylsilane (CH3-SiH3), C3v symm. MP2(full)/6-31G* Geom. MP2=-330.500
 3988

0 1
6            .000000     .000000   -1.244466
14            .000000     .000000     .635703
1            .000000   -1.019762   -1.636363
1           -.883140     .509881   -1.636363
1            .883140     .509881   -1.636363
1            .000000    1.391234    1.158682
1          -1.204844    -.695617    1.158682
1           1.204844    -.695617    1.158682

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Formic Acid (HCOOH), HOCO cis, Cs symm. MP2(full)/6-31G* Geom. MP2=-18
 9.2518734

0 1
8          -1.040945    -.436432     .000000
6            .000000     .423949     .000000
8           1.169372     .103741     .000000
1           -.649570   -1.335134     .000000
1           -.377847    1.452967     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Methyl formate (HCOOCH3), Cs symm. MP2(full)/6-31G* Geom. MP2=-228.411
 6599

0 1
6           -.931209    -.083866     .000000
8           -.711019   -1.278209     .000000
8            .000000     .886841     .000000
1          -1.928360     .374598     .000000
6           1.356899     .397287     .000000
1           1.980134    1.288164     .000000
1           1.541121    -.206172     .889397
1           1.541121    -.206172    -.889397

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Acetamide (CH3CONH2), C1 symm. MP2(full)/6-31G* geom. MP2=-208.5849862

0 1
8            .424546    1.327024     .008034
6            .077158     .149789    -.004249
7            .985518    -.878537    -.048910
6          -1.371475    -.288665    -.000144
1            .707952   -1.824249     .169942
1          -1.997229     .584922    -.175477
1          -1.560842   -1.039270    -.771686
1          -1.632113    -.723007     .969814
1           1.953133    -.631574     .111866

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Aziridine (cyclic CH2-NH-CH2 ring), C2v symm. MP2(full)/6-31G* Geom. M
 P2=-133.4730917

0 1
6           -.038450    -.397326     .739421
7           -.038450     .875189     .000000
6           -.038450    -.397326    -.739421
1            .903052    1.268239     .000000
1           -.955661    -.604926    1.280047
1           -.955661    -.604926   -1.280047
1            .869409    -.708399    1.249033
1            .869409    -.708399   -1.249033

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Cyanogen (NCCN). D*h symm. MP2(full)/6-31G* Geom. MP2=-185.1746395

0 1
7            .000000     .000000    1.875875
6            .000000     .000000     .690573
6            .000000     .000000    -.690573
7            .000000     .000000   -1.875875

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Dimethylamine, (CH3)2NH, Cs symm. MP2(full)/6-31G* geom. MP2=-134.6781
 011

0 1
6           -.027530    -.224702    1.204880
7           -.027530     .592470     .000000
6           -.027530    -.224702   -1.204880
1            .791501    -.962742    1.248506
1            .039598     .421182    2.083405
1           -.972220    -.772987    1.261750
1            .805303    1.178220     .000000
1            .791501    -.962742   -1.248506
1            .039598     .421182   -2.083405
1           -.972220    -.772987   -1.261750

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Trans-Ethylamine (CH3-CH2-NH2), Cs symm. MP2(full)/6-31G* geom. MP2=-1
 34.6882447

0 1
6           1.210014    -.353598     .000000
6            .000000     .575951     .000000
7          -1.305351    -.087478     .000000
1           2.149310     .208498     .000000
1           1.201796    -.997760     .884909
1           1.201796    -.997760    -.884909
1            .034561    1.230963    -.876478
1            .034561    1.230963     .876478
1          -1.372326    -.698340     .813132
1          -1.372326    -.698340    -.813132

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Ketene (H2C=C=O), C2v symm. MP2(full)/6-31G* geom. MP2=-152.1600778

0 1
6            .000000     .000000   -1.219340
6            .000000     .000000     .098920
1            .000000     .938847   -1.753224
1            .000000    -.938847   -1.753224
8            .000000     .000000    1.278620

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Oxirane (cyclic CH2-O-CH2 ring), C2v symm. MP2(full)/6-31G* geom. MP2=
 -153.3156907

0 1
6            .000000     .731580    -.375674
8            .000000     .000000     .860950
6            .000000    -.731580    -.375674
1            .919568    1.268821    -.594878
1           -.919568    1.268821    -.594878
1           -.919568   -1.268821    -.594878
1            .919568   -1.268821    -.594878

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Acetaldehyde (CH3CHO), Cs symm. MP2(full)/6-31G* geom. MP2=-153.358968
 9

0 1
8           1.218055     .361240     .000000
6            .000000     .464133     .000000
1           -.477241    1.465295     .000000
6           -.948102    -.700138     .000000
1           -.385946   -1.634236     .000000
1          -1.596321    -.652475     .880946
1          -1.596321    -.652475    -.880946

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Glyoxal (O=CH-CH=O). Trans, C2h symm. MP2(full)/6-31G* Geom. MP2=-227.
 2037251

0 1
6            .000000     .756430     .000000
6            .000000    -.756430     .000000
8           1.046090    1.389916     .000000
1           -.999940    1.228191     .000000
8          -1.046090   -1.389916     .000000
1            .999940   -1.228191     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Ethanol (trans, CH3CH2OH), Cs symm. MP2(full)/6-31G* geom. MP2=-154.52
 89541

0 1
6           1.168181    -.400382     .000000
6            .000000     .559462     .000000
8          -1.190083    -.227669     .000000
1          -1.946623     .381525     .000000
1            .042557    1.207508     .886933
1            .042557    1.207508    -.886933
1           2.115891     .144800     .000000
1           1.128599   -1.037234     .885881
1           1.128599   -1.037234    -.885881

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 DimethylEther (CH3-O-CH3), C2v symm. MP2(full)/6-31G* geom. MP2=-154.5
 155453

0 1
6            .000000    1.165725    -.199950
8            .000000     .000000     .600110
6            .000000   -1.165725    -.199950
1            .000000    2.017769     .480203
1            .891784    1.214320    -.840474
1           -.891784    1.214320    -.840474
1            .000000   -2.017769     .480203
1           -.891784   -1.214320    -.840474
1            .891784   -1.214320    -.840474

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Thiooxirane (cyclic CH2-S-CH2 ring), C2v symm. MP2(full)/6-31G* Geom. 
 MP2=-475.9496155

0 1
6            .000000    -.739719    -.792334
16            .000000     .000000     .863474
6            .000000     .739719    -.792334
1           -.913940   -1.250142   -1.076894
1            .913940   -1.250142   -1.076894
1            .913940    1.250142   -1.076894
1           -.913940    1.250142   -1.076894

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Dimethylsulfoxide (CH3)2SO, Cs symm. MP2(full)/6-31G* Geom. MP2=-552.1
 363114

0 1
16            .000002     .231838    -.438643
8            .000020    1.500742     .379819
6           1.339528    -.809022     .180717
6          -1.339548    -.808992     .180718
1           1.255835    -.896385    1.266825
1          -2.279404    -.313924    -.068674
1           1.304407   -1.793327    -.292589
1           2.279395    -.313974    -.068674
1          -1.304447   -1.793298    -.292587
1          -1.255857    -.896355    1.266826

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 ThioEthanol (CH3-CH2-SH), Cs symm. MP2(full)/6-31G* Geom. MP2=-477.139
 659

0 1
6           1.514343     .679412     .000000
6            .000000     .826412     .000000
16           -.756068    -.831284     .000000
1          -2.035346    -.427738     .000000
1           -.324970    1.376482     .885793
1           -.324970    1.376482    -.885793
1           1.986503    1.665082     .000000
1           1.854904     .137645     .885494
1           1.854904     .137645    -.885494

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Dimethyl ThioEther (CH3-S-CH3), C2v symm. MP2(full)/6-31G* geom. MP2=-
 477.1413207

0 1
6            .000000    1.366668    -.513713
16            .000000     .000000     .664273
6            .000000   -1.366668    -.513713
1            .000000    2.296687     .057284
1            .891644    1.345680   -1.144596
1           -.891644    1.345680   -1.144596
1            .000000   -2.296687     .057284
1           -.891644   -1.345680   -1.144596
1            .891644   -1.345680   -1.144596

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Vinyl fluoride (H2C=CHF), Cs symm. MP2(full)/6-31G* Geom. MP2=-177.315
 1594

0 1
6            .000000     .437714     .000000
6           1.191923    -.145087     .000000
9          -1.148929    -.278332     .000000
1           -.186445    1.505778     .000000
1           1.291348   -1.222833     .000000
1           2.083924     .466279     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Ethyl chloride (CH3-CH2-Cl), Cs symm. MP2(full)/6-31G* Geom. MP2=-538.
 5434131

0 1
6            .000000     .807636     .000000
6           1.505827     .647832     .000000
17           -.823553    -.779970     .000000
1           -.344979    1.341649     .885248
1           -.344979    1.341649    -.885248
1           1.976903    1.634877     .000000
1           1.839246     .104250     .885398
1           1.839246     .104250    -.885398

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Vinyl chloride, H2C=CHCl, Cs symm. MP2(full)/6-31G* Geom. MP2=-537.336
 0622

0 1
6            .000000     .756016     .000000
6           1.303223    1.028507     .000000
17           -.631555    -.854980     .000000
1           -.771098    1.516963     .000000
1           2.056095     .249427     .000000
1           1.632096    2.061125     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CyanoEthylene (H2C=CHCN), Cs symm. MP2(full)/6-31G* geom. MP2=-170.316
 1069

0 1
6           -.161594   -1.638625     .000000
6            .584957    -.524961     .000000
6            .000000     .782253     .000000
1          -1.245203   -1.598169     .000000
1            .305973   -2.616405     .000000
1           1.669863    -.572107     .000000
7           -.467259    1.867811     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Acetone (CH3-CO-CH3), C2v symm. MP2(full)/6-31G* geom. MP2=-192.540872
 4

0 1
8            .000000     .000000    1.405591
6            .000000     .000000     .179060
6            .000000    1.285490    -.616342
6            .000000   -1.285490    -.616342
1            .000000    2.134917     .066535
1            .000000   -2.134917     .066535
1           -.881086    1.331548   -1.264013
1            .881086    1.331548   -1.264013
1            .881086   -1.331548   -1.264013
1           -.881086   -1.331548   -1.264013

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Acetic Acid (CH3COOH), Single bonds trans, Cs symm. MP2(full)/6-31G* g
 eom. MP2=-228.4339789

0 1
6            .000000     .154560     .000000
8            .166384    1.360084     .000000
8          -1.236449    -.415036     .000000
1          -1.867646     .333582     .000000
6           1.073776    -.892748     .000000
1           2.048189    -.408135     .000000
1            .968661   -1.528353     .881747
1            .968661   -1.528353    -.881747

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Acetyl fluoride (CH3COF), HCCO cis, Cs symm. MP2(full)/6-31G* geom. MP
 2=-252.4133329

0 1
6            .000000     .186396     .000000
8            .126651    1.377199     .000000
9          -1.243950    -.382745     .000000
6           1.049454    -.876224     .000000
1           2.035883    -.417099     .000000
1            .924869   -1.508407     .881549
1            .924869   -1.508407    -.881549

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Acetyl,Chloride (CH3COCl), HCCO cis, Cs symm. MP2(full)/6-31G* geom. M
 P2=-612.4186269

0 1
6            .000000     .523878     .000000
6           1.486075     .716377     .000000
17           -.452286   -1.217999     .000000
8           -.845539    1.374940     .000000
1           1.701027    1.784793     .000000
1           1.917847     .240067     .882679
1           1.917847     .240067    -.882679

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Propyl chloride (CH3CH2CH2Cl), Cs symm. MP2(full)/6-31G* geom. MP2=-57
 7.7144239

0 1
6            .892629    -.642344     .000000
6           2.365587    -.245168     .000000
6            .000000     .582921     .000000
1            .663731   -1.252117     .879201
1            .663731   -1.252117    -.879201
1           3.005476   -1.130924     .000000
17          -1.732810     .139743     .000000
1           2.614882     .347704    -.884730
1           2.614882     .347704     .884730
1            .172881    1.195836     .886460
1            .172881    1.195836    -.886460

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Isopropyl alcohol, (CH3)2CH-OH, Gauche isomer, C1 symm. MP2(full)/6-31
 G* Geom. MP2=-193.706552

0 1
8            .027191    1.363691    -.167516
6           -.000926     .036459     .370128
1            .859465    1.775647     .121307
1            .007371     .082145    1.470506
6          -1.313275    -.563514    -.088979
6           1.200721    -.764480    -.104920
1          -1.334005    -.607253   -1.181009
1           1.202843    -.807817   -1.197189
1          -2.147812     .054993     .247676
1           2.136462    -.299324     .223164
1          -1.438709   -1.574275     .308340
1           1.177736   -1.784436     .289967

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Methyl ethyl ether (CH3-CH2-O-CH3), Trans, Cs symm. MP2(full)/6-31G* G
 eom. MP2=-193.6914772

0 1
8            .006429    -.712741     .000000
6            .000000     .705845     .000000
6           1.324518   -1.226029     .000000
6          -1.442169    1.160325     .000000
1            .530962    1.086484     .886881
1            .530962    1.086484    -.886881
1           1.241648   -2.313325     .000000
1           1.881329    -.905925    -.891710
1           1.881329    -.905925     .891710
1          -1.954863     .780605    -.885855
1          -1.954863     .780605     .885855
1          -1.502025    2.252083     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Trimethyl Amine, (CH3)3N, C3v symm. MP2(full)/6-31G* Geom. MP2=-173.84
 64634

0 1
7            .000000     .000000     .395846
6            .000000    1.378021    -.065175
6           1.193401    -.689011    -.065175
6          -1.193401    -.689011    -.065175
1            .000000    1.461142   -1.167899
1            .886156    1.891052     .317655
1           -.886156    1.891052     .317655
1           1.265386    -.730571   -1.167899
1           1.194621   -1.712960     .317655
1           2.080777    -.178092     .317655
1          -1.265386    -.730571   -1.167899
1          -2.080777    -.178092     .317655
1          -1.194621   -1.712960     .317655

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Furan (cyclic C4H4O), C2v symm. MP2(full)/6-31G* geom. MP2=-229.332781
 4

0 1
8            .000000     .000000    1.163339
6            .000000    1.094700     .348039
6            .000000   -1.094700     .348039
6            .000000     .713200    -.962161
6            .000000    -.713200    -.962161
1            .000000    2.049359     .851113
1            .000000   -2.049359     .851113
1            .000000    1.370828   -1.819738
1            .000000   -1.370828   -1.819738

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Thiophene (cyclic C4H4S), C2v symm. MP2(full)/6-31G* geom. MP2=-551.95
 59715

0 1
16            .000000     .000000    1.189753
6            .000000    1.233876    -.001474
6            .000000   -1.233876    -.001474
6            .000000     .709173   -1.272322
6            .000000    -.709173   -1.272322
1            .000000    2.275343     .291984
1            .000000   -2.275343     .291984
1            .000000    1.321934   -2.167231
1            .000000   -1.321934   -2.167231

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Pyrrole (Planar cyclic C4H4NH), C2v symm. MP2(full)/6-31g* geom. MP2=-
 209.5041766

0 1
1            .000000     .000000    2.129296
7            .000000     .000000    1.118684
6            .000000    1.124516     .333565
6            .000000   -1.124516     .333565
6            .000000     .708407    -.983807
6            .000000    -.708407    -.983807
1            .000000    2.112872     .770496
1            .000000   -2.112872     .770496
1            .000000    1.357252   -1.849085
1            .000000   -1.357252   -1.849085

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 Pyridine (cyclic C5H5N), C2v symm. MP2(full)/6-31G* geom. MP2=-247.510
 6791

0 1
7            .000000     .000000    1.424672
6            .000000     .000000   -1.386178
6            .000000    1.144277     .720306
6            .000000   -1.144277     .720306
6            .000000   -1.196404    -.672917
6            .000000    1.196404    -.672917
1            .000000     .000000   -2.473052
1            .000000    2.060723    1.307477
1            .000000   -2.060723    1.307477
1            .000000   -2.155293   -1.183103
1            .000000    2.155293   -1.183103

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 H2. D*h symm. MP2(full)/6-31G* geom. MP2=-1.1441408

0 1
1            .000000     .000000     .368583
1            .000000     .000000    -.368583

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 SH radical, C*v symm. MP2(full)/6-31G* geom. MP2=-398.1720853

0 2
16            .000000     .000000     .079083
1            .000000     .000000   -1.265330

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CCH radical, C*v symm. MP2(full)/6-31G* geom. MP2=-76.3534702

0 2
6            .000000     .000000    -.462628
6            .000000     .000000     .717162
1            .000000     .000000   -1.527198

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 C2H3 radical, Cs symm, 2-A'. MP2(full)/6-31G* geom. MP2=-77.613258

0 2
6            .049798    -.576272     .000000
6            .049798     .710988     .000000
1           -.876750   -1.151844     .000000
1            .969183   -1.154639     .000000
1           -.690013    1.498185     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CH3CO radical, HCCO cis, Cs symm, 2-A'. MP2(full)/6-31G* geom. MP2=-15
 2.7226518

0 2
6           -.978291    -.647814     .000000
6            .000000     .506283     .000000
1           -.455551   -1.607837     .000000
1          -1.617626    -.563271     .881061
1          -1.617626    -.563271    -.881061
8           1.195069     .447945     .000000

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 H2COH radical, C1 symm. MP2(full)/6-31G* geom. MP2=-114.7033977

0 2
6            .687448     .029626    -.082014
8           -.672094    -.125648     .030405
1          -1.091850     .740282    -.095167
1           1.122783     .975263     .225993
1           1.221131    -.888116     .118015

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CH3O radical, Cs symm, 2-A'. MP2(full)/6-31G* geom. MP2=-114.6930929

0 2
6           -.008618    -.586475     .000000
8           -.008618     .799541     .000000
1           1.055363    -.868756     .000000
1           -.467358   -1.004363     .903279
1           -.467358   -1.004363    -.903279

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CH3CH2O radical, Cs symm, 2-A''. MP2(full)/6-31G* geom. MP2=-153.86705
 98

0 2
6           1.004757    -.568263     .000000
6            .000000     .588691     .000000
8          -1.260062     .000729     .000000
1            .146956    1.204681     .896529
1            .146956    1.204681    -.896529
1           2.019363    -.164100     .000000
1            .869340   -1.186832     .888071
1            .869340   -1.186832    -.888071

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 CH3S radical, Cs symm, 2-A'. MP2(full)/6-31G* geom. MP2=-437.3459808

0 2
6           -.003856    1.106222     .000000
16           -.003856    -.692579     .000000
1           1.043269    1.427057     .000000
1           -.479217    1.508437     .895197
1           -.479217    1.508437    -.895197

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 C2H5 radical, Staggered, Cs symm, 2-A'. MP2(full)/6-31g* geom. MP2=-78
 .8446639

0 2
6           -.014359    -.694617     .000000
6           -.014359     .794473     .000000
1           1.006101   -1.104042     .000000
1           -.517037   -1.093613     .884839
1           -.517037   -1.093613    -.884839
1            .100137    1.346065     .923705
1            .100137    1.346065    -.923705

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 (CH3)2CH radical, Cs symm, 2-A'. MP2(full)/6-31g* geom. MP2=-118.01923
 11

0 2
6            .014223     .543850     .000000
6            .014223    -.199742    1.291572
6            .014223    -.199742   -1.291572
1           -.322890    1.575329     .000000
1            .221417     .459174    2.138477
1            .221417     .459174   -2.138477
1           -.955157    -.684629    1.484633
1            .767181    -.995308    1.286239
1            .767181    -.995308   -1.286239
1           -.955157    -.684629   -1.484633

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 t-Butyl radical, (CH3)3C, C3v symm. MP2(full)/6-31G* geom. MP2=-157.19
 57937

0 2
6            .000000     .000000     .191929
6            .000000    1.478187    -.020866
6           1.280147    -.739093    -.020866
6          -1.280147    -.739093    -.020866
1            .000000    1.731496   -1.093792
1           -.887043    1.945769     .417565
1            .887043    1.945769     .417565
1           1.499520    -.865748   -1.093792
1           2.128607    -.204683     .417565
1           1.241564   -1.741086     .417565
1          -1.499520    -.865748   -1.093792
1          -1.241564   -1.741086     .417565
1          -2.128607    -.204683     .417565

--link1--
%mem=4000000
# mp2(full)/6-31g* scf=direct

 NO2 radical, C2v symm, 2-A1. MP2(full)/6-31G* geom. MP2=-204.5685941

0 2
7            .000000     .000000     .332273
8            .000000    1.118122    -.145370
8            .000000   -1.118122    -.145370


