delta-Valerolactam B3P86/6-31G(3d,3p) opt structure
0 1
C
C,1,B1
C,2,B2,1,A1
N,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
C,1,B5,2,A4,3,D3,0
O,3,B6,2,A5,1,D4,0
H,2,B7,1,A6,6,D5,0
H,2,B8,1,A7,6,D6,0
H,1,B9,6,A8,5,D7,0
H,1,B10,6,A9,5,D8,0
H,4,B11,3,A10,2,D9,0
H,5,B12,4,A11,3,D10,0
H,5,B13,4,A12,3,D11,0
H,6,B14,1,A13,2,D12,0
H,6,B15,1,A14,2,D13,0
Variables:
B1=1.52465034
B2=1.51668154
B3=1.36282624
B4=1.45304913
B5=1.52245295
B6=1.21926392
B7=1.09652432
B8=1.09150697
B9=1.09676878
B10=1.09368266
B11=1.01050594
B12=1.09431567
B13=1.09965181
B14=1.09625645
B15=1.09351348
A1=114.69957623
A2=116.8181801
A3=127.26361405
A4=109.84543756
A5=121.83448583
A6=110.13226306
A7=112.48309793
A8=109.38506497
A9=110.9142312
A10=113.17832834
A11=108.54636279
A12=110.2911487
A13=109.69046882
A14=111.35043728
D1=21.25857255
D2=-11.20842597
D3=-46.48444532
D4=-161.22039054
D5=72.94995201
D6=-168.785904
D7=-59.67709761
D8=-176.88653265
D9=-178.08297087
D10=147.42753519
D11=-95.66779514
D12=-59.54627826
D13=-178.02944139
