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3B1 CH2 cc-pVDZ/UHF-CCSD Geometry Optimization CCSD FIRST
3 -39.0327475723
6.0000000000 -0.0000000000 -0.0000000000 -0.1735990917
1.0000000000 0.0000000000 1.6923007780 1.0335073221
1.0000000000 0.0000000000 -1.6923007780 1.0335073221
0.0000000000 0.0000000000 -0.0358706474
0.0000000000 -0.0153912861 0.0179353237
0.0000000000 0.0153912861 0.0179353237
3B1 CH2 cc-pVDZ/UHF-CCSD Geometry Optimization CCSD FIRST
3 -39.0413654104
6.0000000000 0.0000000000 0.0000000000 -0.1349102341
1.0000000000 0.0000000000 1.8620226506 0.8031765226
1.0000000000 0.0000000000 -1.8620226506 0.8031765226
0.0000000000 0.0000000000 -0.0127842577
0.0000000000 0.0025223604 0.0063921288
0.0000000000 -0.0025223604 0.0063921288
3B1 CH2 cc-pVDZ/UHF-CCSD Geometry Optimization CCSD FIRST
3 -39.0419024649
6.0000000000 0.0000000000 0.0000000000 -0.1231209525
1.0000000000 0.0000000000 1.8809961004 0.7329900445
1.0000000000 0.0000000000 -1.8809961004 0.7329900445
0.0000000000 0.0000000000 -0.0014037594
0.0000000000 -0.0007662736 0.0007018797
0.0000000000 0.0007662736 0.0007018797
3B1 CH2 cc-pVDZ/UHF-CCSD Geometry Optimization CCSD FIRST
3 -39.0419229941
6.0000000000 0.0000000000 0.0000000000 -0.1205455999
1.0000000000 0.0000000000 1.8893452791 0.7176579031
1.0000000000 0.0000000000 -1.8893452791 0.7176579031
0.0000000000 0.0000000000 -0.0001113209
0.0000000000 -0.0000754436 0.0000556604
0.0000000000 0.0000754436 0.0000556604
3B1 CH2 cc-pVDZ/UHF-CCSD Geometry Optimization CCSD FIRST
3 -39.0419231486
6.0000000000 0.0000000000 0.0000000000 -0.1203084327
1.0000000000 0.0000000000 1.8901416063 0.7162459486
1.0000000000 0.0000000000 -1.8901416063 0.7162459486
0.0000000000 0.0000000000 -0.0000024624
0.0000000000 -0.0000009516 0.0000012312
0.0000000000 0.0000009516 0.0000012312
3B1 CH2 cc-pVDZ/UHF-CCSD Geometry Optimization CCSD FIRST
3 -39.0419231468
6.0000000000 0.0000000000 0.0000000000 -0.1203038229
1.0000000000 0.0000000000 1.8901555937 0.7162185044
1.0000000000 0.0000000000 -1.8901555937 0.7162185044
0.0000000000 0.0000000000 -0.0000000148
0.0000000000 0.0000000133 0.0000000074
0.0000000000 -0.0000000133 0.0000000074
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