2-Cyanoaziridine MP2/6-311+G(3d,3p) opt str
with corrected MP2/6-311+G(d,p) CN bond length.
0 1
N
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
N,4,B4,3,A3,1,D2,0
H,1,B5,3,A4,2,D3,0
H,3,B6,2,A5,1,D4,0
H,2,B7,1,A6,3,D5,0
H,2,B8,1,A7,3,D6,0
Variables:
B1=1.47138954
B2=1.48922486
B3=1.44234739
B4=1.1572
B5=1.01573313
B6=1.079233
B7=1.07886518
B8=1.08010838
A1=59.97723569
A2=118.0593494
A3=178.50935575
A4=108.75770434
A5=119.52114533
A6=114.54621751
A7=118.59079375
D1=-108.27082419
D2=-0.82639111
D3=-102.1911913
D4=102.42547132
D5=109.62070391
D6=-106.42464861
