Guess energy: -116.837914524518 ==> Begin SCF Iterations <== Iter energy dE RMS |[F,P]| 0 -73.226880190015 43.611034334503 0.037704098895 1 -73.362990265269 -0.136110075254 0.068817042077 ==> DIIS Expansion Coefficients <== c[0] 0.528106208551 c[1] 0.471893791449 2 -73.553585133343 -0.190594868074 0.076418280252 ==> DIIS Expansion Coefficients <== c[0] 0.015581503393 c[1] -0.666177773014 c[2] 1.650596269621 3 -74.464883669436 -0.911298536093 0.032080900797 ==> DIIS Expansion Coefficients <== c[0] -0.152648872943 c[1] -0.813122897803 c[2] 2.920130093175 c[3] -0.954358322429 4 -74.429023374665 0.035860294771 0.041606480071 ==> DIIS Expansion Coefficients <== c[0] 0.069634813058 c[1] 0.131742598519 c[2] -0.314380037263 c[3] -4.630188951639 c[4] 5.743191577325 5 -74.456614357821 -0.027590983157 0.034310669154 ==> DIIS Expansion Coefficients <== c[0] -0.025053435079 c[1] -0.056626579389 c[2] 0.153359772293 c[3] 0.666122898650 c[4] -0.866447873303 c[5] 1.128645216828 6 -74.511256860259 -0.054642502438 0.000395057332 ==> DIIS Expansion Coefficients <== c[0] 0.007101609137 c[1] 0.058421285425 c[2] 0.314120837238 c[3] -1.766861631161 c[4] 1.467166276504 c[5] -5.206574269961 c[6] 6.126625892817 7 -74.511195829728 0.000061030531 0.001422608516 ==> DIIS Expansion Coefficients <== c[0] 0.000004636204 c[1] 0.046276729960 c[2] 0.345434499910 c[3] -1.595829164299 c[4] 1.257376291837 c[5] -4.895657840414 c[6] 5.841941758922 c[7] 0.000453087880 8 -74.511030534112 0.000165295616 0.002554059030 ==> DIIS Expansion Coefficients <== c[0] 0.000120589424 c[1] 0.046276424088 c[2] 0.345515257550 c[3] -1.595986918160 c[4] 1.257454820349 c[5] -4.896360359156 c[6] 5.842831865402 c[7] 0.000148320502 9 -74.511052613564 -0.000022079452 0.002456520203 ==> DIIS Expansion Coefficients <== c[0] 1790.017423497077 c[1] -1789.072770313198 c[2] -0.021646208100 c[3] -0.019537078211 c[4] 0.041915948505 c[5] 0.015177196833 c[6] 0.039435777404 c[7] 0.000001179691 10 -74.511052329069 0.000000284495 0.002457817744 ==> DIIS Expansion Coefficients <== c[0] 87.591584406267 c[1] -87.542179217934 c[2] -0.000481766742 c[3] 0.949120978706 c[4] 0.000329311663 c[5] -0.000982173932 c[6] 0.002608413458 c[7] 0.000000048514 11 -74.511322873032 -0.000270543963 0.000008732231 ==> DIIS Expansion Coefficients <== c[0] -0.054275686596 c[1] 0.054158173327 c[2] 0.000000582852 c[3] -0.025499605197 c[4] 1.025642031039 c[5] -0.000011279248 c[6] -0.000014216161 c[7] -0.000000000018 12 -74.511322876759 -0.000000003727 0.000000073991 ==> DIIS Expansion Coefficients <== c[0] 0.002119698523 c[1] -0.002117253441 c[2] 1.014335369368 c[3] 0.000432078479 c[4] -0.014770013838 c[5] 0.000000109263 c[6] 0.000000011647 c[7] 0.000000000000 13 -74.511322876760 -0.000000000000 0.000000000419 ==> DIIS Expansion Coefficients <== c[0] 0.001265057434 c[1] -0.001263603035 c[2] 0.553864906167 c[3] 0.000249934716 c[4] -0.008570329293 c[5] 0.000000052000 c[6] 0.000000029887 c[7] 0.454453952125 14 -74.511322876760 -0.000000000000 0.000000000000 SCF iterations converged! * SCF total energy: -74.511322876760