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	hartrees
Energy at 0K	-490.375079
Energy at 298.15K	-490.374724
Nuclear repulsion energy	70.830260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2539	2408	2.70
2	Σ	688	653	19.73
3	Π	448	425	2.93
3	Π	414	393	6.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.645
S2	0.000	0.000	1.026
N3	0.000	0.000	-1.792

	C1	S2	N3
C1		1.6703	1.1470
S2	1.6703		2.8172
N3	1.1470	2.8172

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

using model chemistry: MP2=FULL/6-311G**

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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