MP2/6-311+G(d,p) opt structure
N
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
F,3,B4,2,A3,1,D2,0
F,3,B5,2,A4,1,D3,0
F,3,B6,2,A5,1,D4,0
F,4,B7,2,A6,1,D5,0
F,4,B8,2,A7,1,D6,0
F,4,B9,2,A8,1,D7,0
H,1,B10,2,A9,4,D8,0
Variables:
B1=1.27115061
B2=1.52748251
B3=1.52538153
B4=1.33806814
B5=1.33557877
B6=1.34030092
B7=1.34186069
B8=1.34194615
B9=1.32623385
B10=1.02418527
A1=125.02252799
A2=118.60538019
A3=110.62622028
A4=111.22238742
A5=110.19470331
A6=110.57430321
A7=109.56083668
A8=111.65342801
A9=110.053634
D1=178.92512601
D2=-104.20186811
D3=135.08725001
D4=14.95996569
D5=144.65019383
D6=-96.5193555
D7=23.7289514
D8=177.58347209
MP2/6-311+G(d,p) opt structure
N
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
F,3,B4,2,A3,1,D2,0
F,3,B5,2,A4,1,D3,0
F,3,B6,2,A5,1,D4,0
F,4,B7,2,A6,1,D5,0
F,4,B8,2,A7,1,D6,0
F,4,B9,2,A8,1,D7,0
H,1,B10,2,A9,4,D8,0
Variables:
B1=1.26718904
B2=1.52886771
B3=1.52666471
B4=1.32787271
B5=1.32558788
B6=1.32954247
B7=1.33129872
B8=1.33142566
B9=1.31655058
B10=1.02290787
A1=124.99403547
A2=118.67949999
A3=110.54228627
A4=111.05054989
A5=110.15182543
A6=110.46497214
A7=109.48519302
A8=111.5237949
A9=110.01422519
D1=178.93710994
D2=-104.31752475
D3=135.04859041
D4=14.92623167
D5=144.77183684
D6=-96.35975842
D7=23.88749602
D8=177.62405903
MP2/6-311+G(d,p) opt structure
N
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
F,3,B4,2,A3,1,D2,0
F,3,B5,2,A4,1,D3,0
F,3,B6,2,A5,1,D4,0
F,4,B7,2,A6,1,D5,0
F,4,B8,2,A7,1,D6,0
F,4,B9,2,A8,1,D7,0
H,1,B10,2,A9,4,D8,0
Variables:
B1=1.26455287
B2=1.52558423
B3=1.52374825
B4=1.33218697
B5=1.33042787
B6=1.33404936
B7=1.33592295
B8=1.33579343
B9=1.32054443
B10=1.02067697
A1=124.82058363
A2=118.99146075
A3=110.69430032
A4=111.11198387
A5=110.17680368
A6=110.41494892
A7=109.63565317
A8=111.55366097
A9=110.5003732
D1=178.90100298
D2=-104.85352045
D3=134.5017957
D4=14.39295369
D5=142.7412996
D6=-98.43251768
D7=21.85036473
D8=177.74660242