Glycine II 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=1.18012899
B2=1.31633784
B3=0.95002861
B4=1.527006
B5=1.08356276
B6=1.08356276
B7=1.45503706
B8=0.99751638
B9=0.99751638
A1=122.90519393
A2=108.59153431
A3=121.54440789
A4=106.44263982
A5=106.44263982
A6=112.80313448
A7=112.7833575
A8=112.7833575
D1=180.
D2=180.
D3=-56.78247314
D4=56.78247314
D5=180.
D6=118.42383487
D7=-118.42383487
Glycine II 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=1.17812175
B2=1.31382314
B3=0.94853924
B4=1.52517694
B5=1.08115124
B6=1.08115124
B7=1.45267637
B8=0.99532471
B9=0.99532471
A1=122.79889868
A2=108.62593499
A3=121.58788328
A4=106.34719972
A5=106.34719972
A6=113.06384027
A7=112.74057007
A8=112.74057007
D1=180.
D2=180.
D3=-56.71027943
D4=56.71027943
D5=180.
D6=118.42901345
D7=-118.42901345