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	hartrees
Energy at 0K	-491.452487
Energy at 298.15K
HF Energy	-491.286465
Nuclear repulsion energy	78.383138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2697	2697	1.32
2	A'	2227	2227	9.17
3	A'	985	985	11.44
4	A'	690	690	0.27
5	A'	332	332	4.04
6	A"	386	386	0.56

Atom	x (Å)	y (Å)
S1	-0.072	-1.004
C2	0.000	0.700
N3	-0.016	1.862
H4	1.265	-1.167

	S1	C2	N3	H4
S1		1.7063	2.8674	1.3476
C2	1.7063		1.1622	2.2556
N3	2.8674	1.1622		3.2890
H4	1.3476	2.2556	3.2890

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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