Glycine I HF/6-311+G(d,p) structure
0 1
C
O,1,B1
O,1,B2,2,A1
H,3,B3,1,A2,2,D1,0
C,1,B4,2,A3,3,D2,0
H,5,B5,1,A4,2,D3,0
H,5,B6,1,A5,2,D4,0
N,5,B7,1,A6,2,D5,0
H,8,B8,5,A7,1,D6,0
H,8,B9,5,A8,1,D7,0
Variables:
B1=1.18268771
B2=1.32856604
B3=0.94612533
B4=1.51539449
B5=1.08516955
B6=1.08516955
B7=1.43763942
B8=0.99969101
B9=0.99969101
A1=122.80383905
A2=109.10769927
A3=125.67009496
A4=107.29958689
A5=107.29958689
A6=115.52963812
A7=111.17503929
A8=111.17503929
D1=0.
D2=180.
D3=123.22289301
D4=-123.22289301
D5=0.
D6=-59.50751561
D7=59.50751561
Glycine I HF/6-311++G(3df,3pd) structure
0 1
C
O,1,B1
O,1,B2,2,A1
H,3,B3,1,A2,2,D1,0
C,1,B4,2,A3,3,D2,0
H,5,B5,1,A4,2,D3,0
H,5,B6,1,A5,2,D4,0
N,5,B7,1,A6,2,D5,0
H,8,B8,5,A7,1,D6,0
H,8,B9,5,A8,1,D7,0
Variables:
B1=1.18042008
B2=1.32574486
B3=0.94492162
B4=1.51419978
B5=1.08306101
B6=1.08306101
B7=1.43515758
B8=0.99776242
B9=0.99776242
A1=122.77554178
A2=108.96040119
A3=125.58878747
A4=107.23145837
A5=107.23145837
A6=115.4915038
A7=111.09966352
A8=111.09966352
D1=0.
D2=180.
D3=123.25832999
D4=-123.25832999
D5=0.
D6=-59.35998697
D7=59.35998697