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	hartrees
Energy at 0K	-491.180141
Energy at 298.15K	-491.180771
HF Energy	-490.455394
Nuclear repulsion energy	78.826511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2741	2741	3.84
2	A'	2305	2305	6.09
3	A'	1000	1000	9.59
4	A'	706	706	0.71
5	A'	344	344	4.23
6	A"	407	407	1.37

Atom	x (Å)	y (Å)
S1	-0.073	-0.999
C2	0.000	0.697
N3	-0.013	1.852
H4	1.253	-1.159

	S1	C2	N3	H4
S1		1.6982	2.8523	1.3354
C2	1.6982		1.1551	2.2393
N3	2.8523	1.1551		3.2661
H4	1.3354	2.2393	3.2661

All results from a given calculation for HSCN (thiocyanic acid)

using model chemistry: CCSD=FULL/Def2TZVPP

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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