3-Methylisoxazole mPW1PW91/aug-cc-pVTZ structure
0 1
O
N,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
H,5,B5,4,A4,3,D3,0
H,4,B6,3,A5,2,D4,0
C,3,B7,2,A6,1,D5,0
H,8,B8,3,A7,2,D6,0
H,8,B9,3,A8,2,D7,0
H,8,B10,3,A9,2,D8,0
Variables:
B1=1.37954969
B2=1.30498066
B3=1.42213387
B4=1.34901456
B5=1.07682186
B6=1.07498665
B7=1.48583561
B8=1.09022132
B9=1.09022132
B10=1.08716254
A1=106.30879343
A2=110.98513429
A3=103.46301789
A4=133.41979443
A5=128.41888513
A6=120.37813309
A7=110.77691053
A8=110.77691053
A9=110.06477277
D1=0.
D2=0.
D3=180.
D4=180.
D5=180.
D6=120.31561552
D7=-120.31561552
D8=0.
