4-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
C,4,B5,3,A4,2,D3,0
H,6,B6,4,A5,3,D4,0
H,6,B7,4,A6,3,D5,0
H,6,B8,4,A7,3,D6,0
H,5,B9,4,A8,3,D7,0
H,3,B10,2,A9,1,D8,0
Variables:
B1=1.37403702
B2=1.30108212
B3=1.42098415
B4=1.35314943
B5=1.48754968
B6=1.09068455
B7=1.09068455
B8=1.08844134
B9=1.07696424
B10=1.07911019
A1=105.57310178
A2=112.61746159
A3=101.93460214
A4=128.61929803
A5=111.32047981
A6=111.32047981
A7=111.0680925
A8=132.92153112
A9=118.85100898
D1=0.
D2=0.
D3=180.
D4=-59.90651197
D5=59.90651197
D6=180.
D7=180.
D8=180.
