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	hartrees
Energy at 0K	-490.199605
Energy at 298.15K	-490.199202
Nuclear repulsion energy	70.503757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2375	2268
2	Σ	703	671
3	Π	433	413
3	Π	386	368

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.636
S2	0.000	0.000	1.028
N3	0.000	0.000	-1.803

	C1	S2	N3
C1		1.6640	1.1670
S2	1.6640		2.8311
N3	1.1670	2.8311

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

using model chemistry: MP4/6-31G*

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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