1
 program ciudg      
 multireference single and double excitation configuration
 interaction based on the graphical unitary group approach.


 ************************************************************************
 beginning the bk-type iterative procedure (nzcsf=139797)...
 ************************************************************************

   iter      root         energy      deltae       apxde    residual       rtol
        ---- ----   --------------  ----------  ----------  ----------  ----------
 mr-sdci #  1  1   -109.0272442024 -6.8390E-14  3.2033E-01  1.2093E+00  1.0000E-03   
 mr-sdci #  1  2   -108.9523488865 -2.9310E-14  0.0000E+00  1.2286E+00  1.0000E-03   
 mr-sdci #  1  3   -108.8915350506 -2.2204E-14  0.0000E+00  1.2697E+00  1.0000E-03   
 mr-sdci #  1  4   -108.7567649700 -5.8620E-14  0.0000E+00  1.2386E+00  1.0000E-03   

 mr-sdci  convergence not reached after  1 iterations.

 final mr-sdci  convergence information:
 mr-sdci #  1  1   -109.0272442024 -6.8390E-14  3.2033E-01  1.2093E+00  1.0000E-03   
 mr-sdci #  1  2   -108.9523488865 -2.9310E-14  0.0000E+00  1.2286E+00  1.0000E-03   
 mr-sdci #  1  3   -108.8915350506 -2.2204E-14  0.0000E+00  1.2697E+00  1.0000E-03   
 mr-sdci #  1  4   -108.7567649700 -5.8620E-14  0.0000E+00  1.2386E+00  1.0000E-03   

 from bk iterations: iconv=   1

 ************************************************************************
 beginning the ci iterative diagonalization procedure... 
 ************************************************************************

   iter      root         energy      deltae       apxde    residual       rtol
        ---- ----   --------------  ----------  ----------  ----------  ----------
 mr-sdci #  1  1   -109.0272442024 -2.6645E-15  3.2033E-01  1.2093E+00  1.0000E-03   
 mr-sdci #  1  2   -108.9523488865  2.6645E-15  0.0000E+00  1.2286E+00  1.0000E-03   
 mr-sdci #  1  3   -108.8915350506  8.8818E-16  0.0000E+00  1.2697E+00  1.0000E-03   
 mr-sdci #  1  4   -108.7567649700  1.7764E-15  0.0000E+00  1.2386E+00  1.0000E-03   
 mr-sdci #  2  1   -109.2963528822  2.6911E-01  1.9989E-02  2.9261E-01  1.0000E-03   
 mr-sdci #  2  2   -108.9523490445  1.5801E-07  0.0000E+00  1.2286E+00  1.0000E-03   
 mr-sdci #  2  3   -108.8915519372  1.6887E-05  0.0000E+00  1.2696E+00  1.0000E-03   
 mr-sdci #  2  4   -108.7567833263  1.8356E-05  0.0000E+00  1.2385E+00  1.0000E-03   
 mr-sdci #  3  1   -109.3098633932  1.3511E-02  2.5972E-03  1.0215E-01  1.0000E-03   
 mr-sdci #  3  2   -108.9524972500  1.4821E-04  0.0000E+00  1.2286E+00  1.0000E-03   
 mr-sdci #  3  3   -108.8916481430  9.6206E-05  0.0000E+00  1.2693E+00  1.0000E-03   
 mr-sdci #  3  4   -108.7567869106  3.5843E-06  0.0000E+00  1.2385E+00  1.0000E-03   
 mr-sdci #  4  1   -109.3116340466  1.7707E-03  3.8227E-04  4.1814E-02  1.0000E-03   
 mr-sdci #  4  2   -108.9536834133  1.1862E-03  0.0000E+00  1.2281E+00  1.0000E-03   
 mr-sdci #  4  3   -108.8925996417  9.5150E-04  0.0000E+00  1.2665E+00  1.0000E-03   
 mr-sdci #  4  4   -108.7567915388  4.6282E-06  0.0000E+00  1.2385E+00  1.0000E-03   
 mr-sdci #  5  1   -109.3119489483  3.1490E-04  7.0169E-05  1.8288E-02  1.0000E-03   
 mr-sdci #  5  2   -108.9633717670  9.6884E-03  0.0000E+00  1.2150E+00  1.0000E-03   
 mr-sdci #  5  3   -108.8974130240  4.8134E-03  0.0000E+00  1.2510E+00  1.0000E-03   
 mr-sdci #  5  4   -108.7568344182  4.2879E-05  0.0000E+00  1.2380E+00  1.0000E-03   
 mr-sdci #  6  1   -109.3120177137  6.8765E-05  2.2403E-05  1.0042E-02  1.0000E-03   
 mr-sdci #  6  2   -109.0148053233  5.1434E-02  0.0000E+00  1.0969E+00  1.0000E-03   
 mr-sdci #  6  3   -108.9061832728  8.7702E-03  0.0000E+00  1.2277E+00  1.0000E-03   
 mr-sdci #  6  4   -108.7572219879  3.8757E-04  0.0000E+00  1.2355E+00  1.0000E-03   
 mr-sdci #  7  1   -109.3120417434  2.4030E-05  1.5123E-05  7.8916E-03  1.0000E-03   
 mr-sdci #  7  2   -109.1166346959  1.0183E-01  0.0000E+00  8.0708E-01  1.0000E-03   
 mr-sdci #  7  3   -108.9092629610  3.0797E-03  0.0000E+00  1.2246E+00  1.0000E-03   
 mr-sdci #  7  4   -108.7579152142  6.9323E-04  0.0000E+00  1.2328E+00  1.0000E-03   
 mr-sdci #  8  1   -109.3120614724  1.9729E-05  7.6214E-06  5.9622E-03  1.0000E-03   
 mr-sdci #  8  2   -109.2037823651  8.7148E-02  0.0000E+00  4.6758E-01  1.0000E-03   
 mr-sdci #  8  3   -108.9097783336  5.1537E-04  0.0000E+00  1.2251E+00  1.0000E-03   
 mr-sdci #  8  4   -108.7590168509  1.1016E-03  0.0000E+00  1.2299E+00  1.0000E-03   
 mr-sdci #  9  1   -109.3120694823  8.0099E-06  3.6948E-06  3.8800E-03  1.0000E-03   
 mr-sdci #  9  2   -109.2344533143  3.0671E-02  0.0000E+00  2.8780E-01  1.0000E-03   
 mr-sdci #  9  3   -108.9099997287  2.2140E-04  0.0000E+00  1.2238E+00  1.0000E-03   
 mr-sdci #  9  4   -108.7596746141  6.5776E-04  0.0000E+00  1.2287E+00  1.0000E-03   
 mr-sdci # 10  1   -109.3120723441  2.8618E-06  1.6055E-06  2.5928E-03  1.0000E-03   
 mr-sdci # 10  2   -109.2461766530  1.1723E-02  0.0000E+00  1.9681E-01  1.0000E-03   
 mr-sdci # 10  3   -108.9108582508  8.5852E-04  0.0000E+00  1.2204E+00  1.0000E-03   
 mr-sdci # 10  4   -108.7607864215  1.1118E-03  0.0000E+00  1.2260E+00  1.0000E-03   
 mr-sdci # 11  1   -109.3120740000  1.6559E-06  4.2578E-07  1.3990E-03  1.0000E-03   
 mr-sdci # 11  2   -109.2533972555  7.2206E-03  0.0000E+00  1.2937E-01  1.0000E-03   
 mr-sdci # 11  3   -108.9143369429  3.4787E-03  0.0000E+00  1.2073E+00  1.0000E-03   
 mr-sdci # 11  4   -108.7619719810  1.1856E-03  0.0000E+00  1.2231E+00  1.0000E-03   
 mr-sdci # 12  1   -109.3120743186  3.1857E-07  0.0000E+00  6.8782E-04  1.0000E-03   
 mr-sdci # 12  2   -109.2552212504  1.8240E-03  2.0129E-03  9.6545E-02  1.0000E-03   
 mr-sdci # 12  3   -108.9184255368  4.0886E-03  0.0000E+00  1.1917E+00  1.0000E-03   
 mr-sdci # 12  4   -108.7622865793  3.1460E-04  0.0000E+00  1.2220E+00  1.0000E-03   
 mr-sdci # 13  1   -109.3120743736  5.5057E-08  0.0000E+00  5.6751E-04  1.0000E-03   
 mr-sdci # 13  2   -109.2571124576  1.8912E-03  9.2389E-04  5.9859E-02  1.0000E-03   
 mr-sdci # 13  3   -108.9267208518  8.2953E-03  0.0000E+00  1.1669E+00  1.0000E-03   
 mr-sdci # 13  4   -108.7622870841  5.0475E-07  0.0000E+00  1.2220E+00  1.0000E-03   
 mr-sdci # 14  1   -109.3120743994  2.5764E-08  0.0000E+00  5.0590E-04  1.0000E-03   
 mr-sdci # 14  2   -109.2579424182  8.2996E-04  2.4930E-04  3.2972E-02  1.0000E-03   
 mr-sdci # 14  3   -108.9487380097  2.2017E-02  0.0000E+00  1.0993E+00  1.0000E-03   
 mr-sdci # 14  4   -108.7637347455  1.4477E-03  0.0000E+00  1.2167E+00  1.0000E-03   
 mr-sdci # 15  1   -109.3120744121  1.2699E-08  0.0000E+00  4.2825E-04  1.0000E-03   
 mr-sdci # 15  2   -109.2581518818  2.0946E-04  9.2147E-05  2.0051E-02  1.0000E-03   
 mr-sdci # 15  3   -108.9808638088  3.2126E-02  0.0000E+00  9.9811E-01  1.0000E-03   
 mr-sdci # 15  4   -108.7651072080  1.3725E-03  0.0000E+00  1.2122E+00  1.0000E-03   
 mr-sdci # 16  1   -109.3120744138  1.7375E-09  0.0000E+00  4.1786E-04  1.0000E-03   
 mr-sdci # 16  2   -109.2582239092  7.2027E-05  4.5489E-05  1.3842E-02  1.0000E-03   
 mr-sdci # 16  3   -109.0228891498  4.2025E-02  0.0000E+00  8.7523E-01  1.0000E-03   
 mr-sdci # 16  4   -108.7666468512  1.5396E-03  0.0000E+00  1.2083E+00  1.0000E-03   
 mr-sdci # 17  1   -109.3120744139  1.1473E-10  0.0000E+00  4.1514E-04  1.0000E-03   
 mr-sdci # 17  2   -109.2582705356  4.6626E-05  1.8351E-05  8.9244E-03  1.0000E-03   
 mr-sdci # 17  3   -109.0811826094  5.8293E-02  0.0000E+00  6.7789E-01  1.0000E-03   
 mr-sdci # 17  4   -108.7683300068  1.6832E-03  0.0000E+00  1.2036E+00  1.0000E-03   
 mr-sdci # 18  1   -109.3120744161  2.2174E-09  0.0000E+00  4.0559E-04  1.0000E-03   
 mr-sdci # 18  2   -109.2582858520  1.5316E-05  6.2744E-06  5.5064E-03  1.0000E-03   
 mr-sdci # 18  3   -109.1164878397  3.5305E-02  0.0000E+00  5.4418E-01  1.0000E-03   
 mr-sdci # 18  4   -108.7685295379  1.9953E-04  0.0000E+00  1.2027E+00  1.0000E-03   
 mr-sdci # 19  1   -109.3120744162  8.2888E-11  0.0000E+00  4.0584E-04  1.0000E-03   
 mr-sdci # 19  2   -109.2582927760  6.9240E-06  4.1224E-06  4.1342E-03  1.0000E-03   
 mr-sdci # 19  3   -109.1539107833  3.7423E-02  0.0000E+00  4.0024E-01  1.0000E-03   
 mr-sdci # 19  4   -108.7686442847  1.1475E-04  0.0000E+00  1.2025E+00  1.0000E-03   
 mr-sdci # 20  1   -109.3120744166  3.3082E-10  0.0000E+00  4.0507E-04  1.0000E-03   
 mr-sdci # 20  2   -109.2582966465  3.8706E-06  1.3758E-06  2.4032E-03  1.0000E-03   
 mr-sdci # 20  3   -109.1755727334  2.1662E-02  0.0000E+00  2.7281E-01  1.0000E-03   
 mr-sdci # 20  4   -108.7692170247  5.7274E-04  0.0000E+00  1.2008E+00  1.0000E-03   
 mr-sdci # 21  1   -109.3120744166  1.1060E-11  0.0000E+00  4.0485E-04  1.0000E-03   
 mr-sdci # 21  2   -109.2582979050  1.2584E-06  8.4691E-07  1.8542E-03  1.0000E-03   
 mr-sdci # 21  3   -109.1851215989  9.5489E-03  0.0000E+00  2.4240E-01  1.0000E-03   
 mr-sdci # 21  4   -108.7707788461  1.5618E-03  0.0000E+00  1.1951E+00  1.0000E-03   
 mr-sdci # 22  1   -109.3120744167  1.0269E-10  0.0000E+00  4.0533E-04  1.0000E-03   
 mr-sdci # 22  2   -109.2582984949  5.8991E-07  3.6485E-07  1.2585E-03  1.0000E-03   
 mr-sdci # 22  3   -109.1920847011  6.9631E-03  0.0000E+00  1.9109E-01  1.0000E-03   
 mr-sdci # 22  4   -108.7721086426  1.3298E-03  0.0000E+00  1.1891E+00  1.0000E-03   
 mr-sdci # 23  1   -109.3120744168  1.0497E-10  0.0000E+00  4.0646E-04  1.0000E-03   
 mr-sdci # 23  2   -109.2582989464  4.5153E-07  0.0000E+00  8.9938E-04  1.0000E-03   
 mr-sdci # 23  3   -109.1992768127  7.1921E-03  4.5312E-03  1.4035E-01  1.0000E-03   
 mr-sdci # 23  4   -108.7731378835  1.0292E-03  0.0000E+00  1.1826E+00  1.0000E-03   
 mr-sdci # 24  1   -109.3120744176  8.1226E-10  0.0000E+00  4.0370E-04  1.0000E-03   
 mr-sdci # 24  2   -109.2582990512  1.0475E-07  0.0000E+00  6.0621E-04  1.0000E-03   
 mr-sdci # 24  3   -109.2026269857  3.3502E-03  1.2019E-03  7.3475E-02  1.0000E-03   
 mr-sdci # 24  4   -108.7732302300  9.2347E-05  0.0000E+00  1.1816E+00  1.0000E-03   
 mr-sdci # 25  1   -109.3120744181  4.9573E-10  0.0000E+00  4.0193E-04  1.0000E-03   
 mr-sdci # 25  2   -109.2582990772  2.6060E-08  0.0000E+00  5.2570E-04  1.0000E-03   
 mr-sdci # 25  3   -109.2036449842  1.0180E-03  6.5919E-04  5.1118E-02  1.0000E-03   
 mr-sdci # 25  4   -108.7733278671  9.7637E-05  0.0000E+00  1.1815E+00  1.0000E-03   
 mr-sdci # 26  1   -109.3120744189  7.7145E-10  0.0000E+00  3.9832E-04  1.0000E-03   
 mr-sdci # 26  2   -109.2582990863  9.0997E-09  0.0000E+00  4.8152E-04  1.0000E-03   
 mr-sdci # 26  3   -109.2043292969  6.8431E-04  2.1120E-04  3.1368E-02  1.0000E-03   
 mr-sdci # 26  4   -108.7739225539  5.9469E-04  0.0000E+00  1.1794E+00  1.0000E-03   
 mr-sdci # 27  1   -109.3120744189  2.6787E-12  0.0000E+00  3.9828E-04  1.0000E-03   
 mr-sdci # 27  2   -109.2582990869  6.0477E-10  0.0000E+00  4.8140E-04  1.0000E-03   
 mr-sdci # 27  3   -109.2044875396  1.5824E-04  7.1847E-05  1.8554E-02  1.0000E-03   
 mr-sdci # 27  4   -108.7739789428  5.6389E-05  0.0000E+00  1.1788E+00  1.0000E-03   
 mr-sdci # 28  1   -109.3120744189  1.1458E-12  0.0000E+00  3.9837E-04  1.0000E-03   
 mr-sdci # 28  2   -109.2582990875  5.6680E-10  0.0000E+00  4.8299E-04  1.0000E-03   
 mr-sdci # 28  3   -109.2045378439  5.0304E-05  2.7643E-05  1.0957E-02  1.0000E-03   
 mr-sdci # 28  4   -108.7740257561  4.6813E-05  0.0000E+00  1.1784E+00  1.0000E-03   
 mr-sdci # 29  1   -109.3120744189  2.3049E-11  0.0000E+00  3.9827E-04  1.0000E-03   
 mr-sdci # 29  2   -109.2582990883  7.8661E-10  0.0000E+00  4.9115E-04  1.0000E-03   
 mr-sdci # 29  3   -109.2045639540  2.6110E-05  9.5790E-06  6.5774E-03  1.0000E-03   
 mr-sdci # 29  4   -108.7740287177  2.9616E-06  0.0000E+00  1.1785E+00  1.0000E-03   
 mr-sdci # 30  1   -109.3120744189  5.5058E-12  0.0000E+00  3.9823E-04  1.0000E-03   
 mr-sdci # 30  2   -109.2582990939  5.6324E-09  0.0000E+00  4.5635E-04  1.0000E-03   
 mr-sdci # 30  3   -109.2045720772  8.1233E-06  4.2010E-06  4.5318E-03  1.0000E-03   
 mr-sdci # 30  4   -108.7743541382  3.2542E-04  0.0000E+00  1.1786E+00  1.0000E-03   
 mr-sdci # 31  1   -109.3120744189  4.6466E-11  0.0000E+00  3.9786E-04  1.0000E-03   
 mr-sdci # 31  2   -109.2582990941  2.2065E-10  0.0000E+00  4.5426E-04  1.0000E-03   
 mr-sdci # 31  3   -109.2045751888  3.1115E-06  1.6378E-06  2.6645E-03  1.0000E-03   
 mr-sdci # 31  4   -108.7758673623  1.5132E-03  0.0000E+00  1.1751E+00  1.0000E-03   
 mr-sdci # 32  1   -109.3120744189  8.8818E-15  0.0000E+00  3.9786E-04  1.0000E-03   
 mr-sdci # 32  2   -109.2582990943  1.5277E-10  0.0000E+00  4.4949E-04  1.0000E-03   
 mr-sdci # 32  3   -109.2045768404  1.6516E-06  6.9625E-07  1.7872E-03  1.0000E-03   
 mr-sdci # 32  4   -108.7783307748  2.4634E-03  0.0000E+00  1.1667E+00  1.0000E-03   
 mr-sdci # 33  1   -109.3120744190  5.6526E-11  0.0000E+00  3.9730E-04  1.0000E-03   
 mr-sdci # 33  2   -109.2582990958  1.5538E-09  0.0000E+00  4.4946E-04  1.0000E-03   
 mr-sdci # 33  3   -109.2045774348  5.9440E-07  3.4751E-07  1.2995E-03  1.0000E-03   
 mr-sdci # 33  4   -108.7793299942  9.9922E-04  0.0000E+00  1.1594E+00  1.0000E-03   
 mr-sdci # 34  1   -109.3120744190  1.0800E-12  0.0000E+00  3.9738E-04  1.0000E-03   
 mr-sdci # 34  2   -109.2582990971  1.2520E-09  0.0000E+00  4.3703E-04  1.0000E-03   
 mr-sdci # 34  3   -109.2045776655  2.3073E-07  0.0000E+00  7.1332E-04  1.0000E-03   
 mr-sdci # 34  4   -108.7793416970  1.1703E-05  3.0533E-01  1.1594E+00  1.0000E-03   
 mr-sdci # 35  1   -109.3120744190  1.9202E-12  0.0000E+00  3.9721E-04  1.0000E-03   
 mr-sdci # 35  2   -109.2582990971  3.5651E-11  0.0000E+00  4.3530E-04  1.0000E-03   
 mr-sdci # 35  3   -109.2045776655  2.1672E-12  0.0000E+00  7.1330E-04  1.0000E-03   
 mr-sdci # 35  4   -109.0065542429  2.2721E-01  9.8686E-02  4.6812E-01  1.0000E-03   
 mr-sdci # 36  1   -109.3120744196  6.1776E-10  0.0000E+00  3.9062E-04  1.0000E-03   
 mr-sdci # 36  2   -109.2582991001  2.9733E-09  0.0000E+00  4.1506E-04  1.0000E-03   
 mr-sdci # 36  3   -109.2045776656  7.2064E-11  0.0000E+00  7.1472E-04  1.0000E-03   
 mr-sdci # 36  4   -109.0440878602  3.7534E-02  1.2983E-02  2.1312E-01  1.0000E-03   
 mr-sdci # 37  1   -109.3120744196  8.0576E-12  0.0000E+00  3.9082E-04  1.0000E-03   
 mr-sdci # 37  2   -109.2582991001  3.0445E-11  0.0000E+00  4.1585E-04  1.0000E-03   
 mr-sdci # 37  3   -109.2045776668  1.1957E-09  0.0000E+00  7.1633E-04  1.0000E-03   
 mr-sdci # 37  4   -109.0502930689  6.2052E-03  5.8764E-03  1.2599E-01  1.0000E-03   
 mr-sdci # 38  1   -109.3120744199  3.2346E-10  0.0000E+00  3.8776E-04  1.0000E-03   
 mr-sdci # 38  2   -109.2582991005  4.2380E-10  0.0000E+00  4.1571E-04  1.0000E-03   
 mr-sdci # 38  3   -109.2045776696  2.7507E-09  0.0000E+00  7.2194E-04  1.0000E-03   
 mr-sdci # 38  4   -109.0538269744  3.5339E-03  2.4701E-03  8.7414E-02  1.0000E-03   
 mr-sdci # 39  1   -109.3120744200  9.2335E-12  0.0000E+00  3.8763E-04  1.0000E-03   
 mr-sdci # 39  2   -109.2582991012  6.1257E-10  0.0000E+00  4.1435E-04  1.0000E-03   
 mr-sdci # 39  3   -109.2045776737  4.1565E-09  0.0000E+00  7.4422E-04  1.0000E-03   
 mr-sdci # 39  4   -109.0555509760  1.7240E-03  1.0468E-03  5.9832E-02  1.0000E-03   
 mr-sdci # 40  1   -109.3120744200  2.4869E-14  0.0000E+00  3.8762E-04  1.0000E-03   
 mr-sdci # 40  2   -109.2582991015  2.9195E-10  0.0000E+00  4.1501E-04  1.0000E-03   
 mr-sdci # 40  3   -109.2045776906  1.6928E-08  0.0000E+00  6.9453E-04  1.0000E-03   
 mr-sdci # 40  4   -109.0561292469  5.7827E-04  4.6378E-04  3.8567E-02  1.0000E-03   
 mr-sdci # 41  1   -109.3120744200  6.5319E-11  0.0000E+00  3.8720E-04  1.0000E-03   
 mr-sdci # 41  2   -109.2582991025  1.0582E-09  0.0000E+00  4.0880E-04  1.0000E-03   
 mr-sdci # 41  3   -109.2045777151  2.4465E-08  0.0000E+00  7.0047E-04  1.0000E-03   
 mr-sdci # 41  4   -109.0565396378  4.1039E-04  3.3049E-04  3.1364E-02  1.0000E-03   
 mr-sdci # 42  1   -109.3120744201  7.9713E-11  0.0000E+00  3.8815E-04  1.0000E-03   
 mr-sdci # 42  2   -109.2582991027  1.6044E-10  0.0000E+00  4.0662E-04  1.0000E-03   
 mr-sdci # 42  3   -109.2045777322  1.7094E-08  0.0000E+00  6.9017E-04  1.0000E-03   
 mr-sdci # 42  4   -109.0567455789  2.0594E-04  2.2689E-04  2.7747E-02  1.0000E-03   
 mr-sdci # 43  1   -109.3120744202  6.9195E-11  0.0000E+00  3.8730E-04  1.0000E-03   
 mr-sdci # 43  2   -109.2582991027  1.1644E-11  0.0000E+00  4.0633E-04  1.0000E-03   
 mr-sdci # 43  3   -109.2045777433  1.1059E-08  0.0000E+00  6.4374E-04  1.0000E-03   
 mr-sdci # 43  4   -109.0568445586  9.8980E-05  8.5363E-05  1.6152E-02  1.0000E-03   
 mr-sdci # 44  1   -109.3120744202  7.9734E-11  0.0000E+00  3.8798E-04  1.0000E-03   
 mr-sdci # 44  2   -109.2582991027  1.1871E-11  0.0000E+00  4.0648E-04  1.0000E-03   
 mr-sdci # 44  3   -109.2045777511  7.8116E-09  0.0000E+00  6.1821E-04  1.0000E-03   
 mr-sdci # 44  4   -109.0569019509  5.7392E-05  3.3306E-05  1.0298E-02  1.0000E-03   
 mr-sdci # 45  1   -109.3120744204  1.1162E-10  0.0000E+00  3.8708E-04  1.0000E-03   
 mr-sdci # 45  2   -109.2582991028  9.4845E-11  0.0000E+00  4.0673E-04  1.0000E-03   
 mr-sdci # 45  3   -109.2045777531  1.9905E-09  0.0000E+00  6.2595E-04  1.0000E-03   
 mr-sdci # 45  4   -109.0569256876  2.3737E-05  2.2667E-05  8.9513E-03  1.0000E-03   
 mr-sdci # 46  1   -109.3120744204  8.1198E-11  0.0000E+00  3.8732E-04  1.0000E-03   
 mr-sdci # 46  2   -109.2582991029  6.6735E-11  0.0000E+00  4.0543E-04  1.0000E-03   
 mr-sdci # 46  3   -109.2045777540  9.8471E-10  0.0000E+00  6.1859E-04  1.0000E-03   
 mr-sdci # 46  4   -109.0569386838  1.2996E-05  1.0877E-05  5.8430E-03  1.0000E-03   
 mr-sdci # 47  1   -109.3120744205  2.8634E-11  0.0000E+00  3.8674E-04  1.0000E-03   
 mr-sdci # 47  2   -109.2582991029  3.9613E-12  0.0000E+00  4.0542E-04  1.0000E-03   
 mr-sdci # 47  3   -109.2045777565  2.5057E-09  0.0000E+00  6.1756E-04  1.0000E-03   
 mr-sdci # 47  4   -109.0569483616  9.6777E-06  7.1702E-06  4.6498E-03  1.0000E-03   
 mr-sdci # 48  1   -109.3120744205  4.4436E-12  0.0000E+00  3.8686E-04  1.0000E-03   
 mr-sdci # 48  2   -109.2582991029  4.5137E-12  0.0000E+00  4.0530E-04  1.0000E-03   
 mr-sdci # 48  3   -109.2045777573  7.9462E-10  0.0000E+00  6.1702E-04  1.0000E-03   
 mr-sdci # 48  4   -109.0569527220  4.3604E-06  4.7727E-06  4.0066E-03  1.0000E-03   
 mr-sdci # 49  1   -109.3120744205  3.2951E-13  0.0000E+00  3.8682E-04  1.0000E-03   
 mr-sdci # 49  2   -109.2582991029  4.3956E-12  0.0000E+00  4.0549E-04  1.0000E-03   
 mr-sdci # 49  3   -109.2045777577  3.6698E-10  0.0000E+00  6.1472E-04  1.0000E-03   
 mr-sdci # 49  4   -109.0569548762  2.1542E-06  1.8643E-06  2.4054E-03  1.0000E-03   
 mr-sdci # 50  1   -109.3120744205  5.4179E-14  0.0000E+00  3.8683E-04  1.0000E-03   
 mr-sdci # 50  2   -109.2582991029  5.8076E-11  0.0000E+00  4.0514E-04  1.0000E-03   
 mr-sdci # 50  3   -109.2045777583  6.3809E-10  0.0000E+00  6.0922E-04  1.0000E-03   
 mr-sdci # 50  4   -109.0569560848  1.2086E-06  6.1075E-07  1.3592E-03  1.0000E-03   
 mr-sdci # 51  1   -109.3120744205  2.0979E-12  0.0000E+00  3.8698E-04  1.0000E-03   
 mr-sdci # 51  2   -109.2582991030  4.3274E-11  0.0000E+00  4.0458E-04  1.0000E-03   
 mr-sdci # 51  3   -109.2045777583  5.0733E-12  0.0000E+00  6.0878E-04  1.0000E-03   
 mr-sdci # 51  4   -109.0569564755  3.9063E-07  3.3685E-07  1.1034E-03  1.0000E-03   
 mr-sdci # 52  1   -109.3120744205  9.7486E-12  0.0000E+00  3.8679E-04  1.0000E-03   
 mr-sdci # 52  2   -109.2582991030  2.1902E-11  0.0000E+00  4.0510E-04  1.0000E-03   
 mr-sdci # 52  3   -109.2045777584  9.5606E-11  0.0000E+00  6.0991E-04  1.0000E-03   
 mr-sdci # 52  4   -109.0569566745  1.9899E-07  1.6957E-07  7.1404E-04  1.0000E-03   

 mr-sdci  convergence criteria satisfied after 52 iterations.

 final mr-sdci  convergence information:
 mr-sdci # 52  1   -109.3120744205  9.7486E-12  0.0000E+00  3.8679E-04  1.0000E-03   
 mr-sdci # 52  2   -109.2582991030  2.1902E-11  0.0000E+00  4.0510E-04  1.0000E-03   
 mr-sdci # 52  3   -109.2045777584  9.5606E-11  0.0000E+00  6.0991E-04  1.0000E-03   
 mr-sdci # 52  4   -109.0569566745  1.9899E-07  1.6957E-07  7.1404E-04  1.0000E-03   

 number of reference csfs (nref) is  2375.  root number (iroot) is  1.
 c0**2 =   0.92833407  c**2 (all zwalks) =   0.93451535

 eref      =   -109.026017658755   "relaxed" cnot**2         =   0.928334065268
 eci       =   -109.312074420486   deltae = eci - eref       =  -0.286056761731
 eci+dv1   =   -109.332574945702   dv1 = (1-cnot**2)*deltae  =  -0.020500525216
 eci+dv2   =   -109.334157554115   dv2 = dv1 / cnot**2       =  -0.022083133629
 eci+dv3   =   -109.336004953775   dv3 = dv1 / (2*cnot**2-1) =  -0.023930533290
 eci+pople =   -109.331057316404   ( 11e- scaled deltae )    =  -0.305039657650

 number of reference csfs (nref) is  2375.  root number (iroot) is  2.
 c0**2 =   0.91164975  c**2 (all zwalks) =   0.91597797

 eref      =   -108.938855134943   "relaxed" cnot**2         =   0.911649754040
 eci       =   -109.258299102993   deltae = eci - eref       =  -0.319443968050
 eci+dv1   =   -109.286522056141   dv1 = (1-cnot**2)*deltae  =  -0.028222953148
 eci+dv2   =   -109.289257212752   dv2 = dv1 / cnot**2       =  -0.030958109759
 eci+dv3   =   -109.292579401804   dv3 = dv1 / (2*cnot**2-1) =  -0.034280298811
 eci+pople =   -109.285250536148   ( 11e- scaled deltae )    =  -0.346395401205

 number of reference csfs (nref) is  2375.  root number (iroot) is  3.
 c0**2 =   0.91792172  c**2 (all zwalks) =   0.92317403

 eref      =   -108.899099570424   "relaxed" cnot**2         =   0.917921721532
 eci       =   -109.204577758445   deltae = eci - eref       =  -0.305478188021
 eci+dv1   =   -109.229650882228   dv1 = (1-cnot**2)*deltae  =  -0.025073123782
 eci+dv2   =   -109.231892858627   dv2 = dv1 / cnot**2       =  -0.027315100181
 eci+dv3   =   -109.234575150888   dv3 = dv1 / (2*cnot**2-1) =  -0.029997392443
 eci+pople =   -109.228243287414   ( 11e- scaled deltae )    =  -0.329143716990

 number of reference csfs (nref) is  2375.  root number (iroot) is  4.
 c0**2 =   0.91848749  c**2 (all zwalks) =   0.92436975

 eref      =   -108.757512012756   "relaxed" cnot**2         =   0.918487491874
 eci       =   -109.056956674457   deltae = eci - eref       =  -0.299444661700
 eci+dv1   =   -109.081365159877   dv1 = (1-cnot**2)*deltae  =  -0.024408485420
 eci+dv2   =   -109.083531326410   dv2 = dv1 / cnot**2       =  -0.026574651953
 eci+dv3   =   -109.086119416347   dv3 = dv1 / (2*cnot**2-1) =  -0.029162741891
 eci+pople =   -109.079970751567   ( 11e- scaled deltae )    =  -0.322458738811
