tests/qmmm_freq/qmmm_freq.out

300  Nuclear repulsion energy =   39.7721380481487
307  Nuclear repulsion energy =   39.7721380481487
319  Nuclear repulsion energy =   39.7721380481487
335  Nuclear repulsion energy =   39.7721380481487
350  Nuclear repulsion energy =   39.7721380481487
353  Nuclear repulsion energy =   39.7721380481487
356  Nuclear repulsion energy =   39.7721380481487
359  Nuclear repulsion energy =   39.7721380481487
362  Nuclear repulsion energy =   39.7721380481487
370  Nuclear repulsion energy =       39.907366931463
542  Nuclear repulsion energy =   39.7721380481487
608  Nuclear repulsion energy =   39.7075272797093
611  Nuclear repulsion energy =   39.7075272797093
613  Nuclear repulsion energy =   39.7075272797093
617  Nuclear repulsion energy =   39.7075272797093
619  Nuclear repulsion energy =   39.7075272797093
621  Nuclear repulsion energy =   39.7075272797093
623  Nuclear repulsion energy =   39.7075272797093
631  Nuclear repulsion energy =       39.841059636095
638  Nuclear repulsion energy =   39.7075272797093
671  Nuclear repulsion energy =   39.8368844533743
674  Nuclear repulsion energy =   39.8368844533743
676  Nuclear repulsion energy =   39.8368844533743
680  Nuclear repulsion energy =   39.8368844533743
682  Nuclear repulsion energy =   39.8368844533743
684  Nuclear repulsion energy =   39.8368844533743
686  Nuclear repulsion energy =   39.8368844533743
694  Nuclear repulsion energy =       39.973818191330
701  Nuclear repulsion energy =   39.8368844533743
734  Nuclear repulsion energy =   39.7427281537961
737  Nuclear repulsion energy =   39.7427281537961
739  Nuclear repulsion energy =   39.7427281537961
743  Nuclear repulsion energy =   39.7427281537961
745  Nuclear repulsion energy =   39.7427281537961
747  Nuclear repulsion energy =   39.7427281537961
755  Nuclear repulsion energy =       39.876866314691
762  Nuclear repulsion energy =   39.7427281537961
795  Nuclear repulsion energy =   39.8014330214980
798  Nuclear repulsion energy =   39.8014330214980
800  Nuclear repulsion energy =   39.8014330214980
804  Nuclear repulsion energy =   39.8014330214980
806  Nuclear repulsion energy =   39.8014330214980
808  Nuclear repulsion energy =   39.8014330214980
816  Nuclear repulsion energy =       39.937743655607
823  Nuclear repulsion energy =   39.8014330214980
856  Nuclear repulsion energy =   39.7261878705376
859  Nuclear repulsion energy =   39.7261878705376
861  Nuclear repulsion energy =   39.7261878705376
865  Nuclear repulsion energy =   39.7261878705376
867  Nuclear repulsion energy =   39.7261878705376
869  Nuclear repulsion energy =   39.7261878705376
871  Nuclear repulsion energy =   39.7261878705376
879  Nuclear repulsion energy =       39.860526991020
886  Nuclear repulsion energy =   39.7261878705376
919  Nuclear repulsion energy =   39.8180675088609
922  Nuclear repulsion energy =   39.8180675088609
924  Nuclear repulsion energy =   39.8180675088609
928  Nuclear repulsion energy =   39.8180675088609
930  Nuclear repulsion energy =   39.8180675088609
932  Nuclear repulsion energy =   39.8180675088609
934  Nuclear repulsion energy =   39.8180675088609
942  Nuclear repulsion energy =       39.954186798921
949  Nuclear repulsion energy =   39.8180675088609
982  Nuclear repulsion energy =   39.8368844533743
985  Nuclear repulsion energy =   39.8368844533743
987  Nuclear repulsion energy =   39.8368844533743
991  Nuclear repulsion energy =   39.8368844533743
993  Nuclear repulsion energy =   39.8368844533743
995  Nuclear repulsion energy =   39.8368844533743
997  Nuclear repulsion energy =   39.8368844533743
999  Nuclear repulsion energy =   39.8368844533743
1007  Nuclear repulsion energy =       39.970674173082
1014  Nuclear repulsion energy =   39.8368844533743
1047  Nuclear repulsion energy =   39.7075272797093
1050  Nuclear repulsion energy =   39.7075272797093
1052  Nuclear repulsion energy =   39.7075272797093
1056  Nuclear repulsion energy =   39.7075272797093
1058  Nuclear repulsion energy =   39.7075272797093
1060  Nuclear repulsion energy =   39.7075272797093
1062  Nuclear repulsion energy =   39.7075272797093
1064  Nuclear repulsion energy =   39.7075272797093
1072  Nuclear repulsion energy =       39.844189441242
1079  Nuclear repulsion energy =   39.7075272797093
1112  Nuclear repulsion energy =   39.8014330214980
1115  Nuclear repulsion energy =   39.8014330214980
1117  Nuclear repulsion energy =   39.8014330214980
1121  Nuclear repulsion energy =   39.8014330214980
1123  Nuclear repulsion energy =   39.8014330214980
1125  Nuclear repulsion energy =   39.8014330214980
1133  Nuclear repulsion energy =       39.934447446078
1140  Nuclear repulsion energy =   39.8014330214980
1173  Nuclear repulsion energy =   39.7427281537961
1176  Nuclear repulsion energy =   39.7427281537961
1178  Nuclear repulsion energy =   39.7427281537961
1182  Nuclear repulsion energy =   39.7427281537961
1184  Nuclear repulsion energy =   39.7427281537961
1186  Nuclear repulsion energy =   39.7427281537961
1194  Nuclear repulsion energy =       39.880170323763
1201  Nuclear repulsion energy =   39.7427281537961
1234  Nuclear repulsion energy =   39.8180675088609
1237  Nuclear repulsion energy =   39.8180675088609
1239  Nuclear repulsion energy =   39.8180675088609
1243  Nuclear repulsion energy =   39.8180675088609
1245  Nuclear repulsion energy =   39.8180675088609
1247  Nuclear repulsion energy =   39.8180675088609
1249  Nuclear repulsion energy =   39.8180675088609
1257  Nuclear repulsion energy =       39.951056911529
1264  Nuclear repulsion energy =   39.8180675088609
1297  Nuclear repulsion energy =   39.7261878705376
1300  Nuclear repulsion energy =   39.7261878705376
1302  Nuclear repulsion energy =   39.7261878705376
1306  Nuclear repulsion energy =   39.7261878705376
1308  Nuclear repulsion energy =   39.7261878705376
1310  Nuclear repulsion energy =   39.7261878705376
1312  Nuclear repulsion energy =   39.7261878705376
1320  Nuclear repulsion energy =       39.863663291759
1327  Nuclear repulsion energy =   39.7261878705376