~re bond lengths are given in parentheses
H
C,1,R1
C,2,R2,1,A3
C,2,R3,1,A4,3,D4,0
H,4,R4,2,A5,3,D5,0
H,4,R5,2,A6,3,D6,0
H,3,R6,2,A7,6,D7,0
H,3,R7,2,A8,6,D8,0
I,3,R8,2,A9,6,D9,0
Variables:
R1=1.08831877 (1.085)
R2=1.48850334 (1.4830)
R3=1.34231276 (1.3331)
R4=1.08478106 (1.082)
R5=1.08677653 (1.084)
R6=1.09026419 (1.088)
R7=1.09039112 (1.088)
R8=2.17847576
A3=116.79658421
A4=120.19426045
A5=121.1551249
A6=121.24369841
A7=112.02921461
A8=112.35861325
A9=111.13934511
D4=179.26418436
D5=178.81947746
D6=-1.53006269
D7=-4.7459378
D8=-129.36270184
D9=113.85809567
~re bond lengths are given in parentheses
H
C,1,R1
C,2,R2,1,A3
C,2,R3,1,A4,3,D4,0
H,4,R4,2,A5,3,D5,0
H,4,R5,2,A6,3,D6,0
H,3,R6,2,A7,6,D7,0
H,3,R7,2,A8,6,D8,0
I,3,R8,2,A9,6,D9,0
Variables:
R1=1.08693888 (1.085)
R2=1.48412631 (1.4830)
R3=1.33687163 (1.3331)
R4=1.08345193 (1.082)
R5=1.08534627 (1.084)
R6=1.08818411 (1.088)
R7=1.08838794 (1.088)
R8=2.15810152
A3=116.89202173
A4=119.93219748
A5=121.207216
A6=121.17154873
A7=112.06642536
A8=112.45594814
A9=111.45570261
D4=179.65619948
D5=178.95531942
D6=-1.16543903
D7=-4.64134578
D8=-128.98916963
D9=114.29390275
~re bond lengths are given in parentheses
H
C,1,R1
C,2,R2,1,A3
C,2,R3,1,A4,3,D4,0
H,4,R4,2,A5,3,D5,0
H,4,R5,2,A6,3,D6,0
H,3,R6,2,A7,6,D7,0
H,3,R7,2,A8,6,D8,0
I,3,R8,2,A9,6,D9,0
Variables:
R1=1.08375636 (1.085)
R2=1.48393618 (1.4830)
R3=1.3390842 (1.3331)
R4=1.08018853 (1.082)
R5=1.08224267 (1.084)
R6=1.08444697 (1.088)
R7=1.08447697 (1.088)
R8=2.17347418
A3=116.96787467
A4=119.93058084
A5=121.27139179
A6=121.1216781
A7=112.52559744
A8=112.94673533
A9=110.89193843
D4=179.91110096
D5=179.11431147
D6=-0.98017817
D7=-4.29114691
D8=-130.29187182
D9=113.74138949