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	hartrees
Energy at 0K	-490.197493
Energy at 298.15K	-490.196963
Nuclear repulsion energy	70.259196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2027	1916	8.85
2	Σ	723	683	5.22
3	Π	365	345	1.07
3	Π	316	298	3.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.627
S2	0.000	0.000	1.029
N3	0.000	0.000	-1.814

	C1	S2	N3
C1		1.6552	1.1874
S2	1.6552		2.8426
N3	1.1874	2.8426

All results from a given calculation for SCN (thiocyanato radical)

using model chemistry: QCISD/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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