~re bond lengths are given in parentheses
I
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
H,4,B4,2,A3,3,D2,0
H,4,B5,2,A4,3,D3,0
H,3,B6,2,A5,6,D4,0
H,3,B7,2,A6,6,D5,0
H,3,B8,2,A7,6,D6,0
Variables:
B1=2.12179695
B2=1.50085885 (1.4946)
B3=1.34061963 (1.3315)
B4=1.08319703 (1.080)
B5=1.08779027 (1.085)
B6=1.09451299 (1.092)
B7=1.09396159 (1.091)
B8=1.09396159 (1.091)
A1=115.1305612
A2=119.82408254
A3=122.91716732
A4=118.92315605
A5=109.63549854
A6=110.74066476
A7=110.74066476
D1=180.
D2=180.
D3=0.
D4=0.
D5=120.29874517
D6=-120.29874517
~re bond lengths are given in parentheses
I
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
H,4,B4,2,A3,3,D2,0
H,4,B5,2,A4,3,D3,0
H,3,B6,2,A5,6,D4,0
H,3,B7,2,A6,6,D5,0
H,3,B8,2,A7,6,D6,0
Variables:
B1=2.10147957
B2=1.49512814 (1.4946)
B3=1.33388008 (1.3315)
B4=1.08177056 (1.080)
B5=1.08598017 (1.085)
B6=1.09250108 (1.092)
B7=1.0924653 (1.091)
B8=1.0924653 (1.091)
A1=115.14051947
A2=120.17388439
A3=122.94292302
A4=119.01746946
A5=109.88603447
A6=110.82069845
A7=110.82069845
D1=180.
D2=180.
D3=0.
D4=0.
D5=120.40335747
D6=-120.40335747
~re bond lengths are given in parentheses
I
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
H,4,B4,2,A3,3,D2,0
H,4,B5,2,A4,3,D3,0
H,3,B6,2,A5,6,D4,0
H,3,B7,2,A6,6,D5,0
H,3,B8,2,A7,6,D6,0
Variables:
B1=2.1156103
B2=1.49667007 (1.4946)
B3=1.33662346 (1.3315)
B4=1.07846881 (1.080)
B5=1.08325389 (1.085)
B6=1.08954592 (1.092)
B7=1.08905984 (1.091)
B8=1.08905984 (1.091)
A1=115.09354207
A2=119.77125001
A3=122.886497
A4=118.88346967
A5=109.80364124
A6=110.6798011
A7=110.6798011
D1=180.
D2=180.
D3=0.
D4=0.
D5=120.36018933
D6=-120.36018933