|
SHIFT=2 PM7 S2(CN)2 H=82.3 HR=C&P1970 I=11.05 IR=LLNBS82 S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 S 1.99140036 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 1.69278566 +1 107.8868619 +1 0.0000000 +0 2 1 0 C 1.69278588 +1 107.8450584 +1 85.9823192 +1 1 2 3 N 1.15673938 +1 177.2656732 +1 174.6371750 +1 3 2 1 N 1.15657132 +1 177.3138712 +1 174.6640922 +1 4 1 2