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	hartrees
Energy at 0K	-490.995923
Energy at 298.15K	-490.996525
HF Energy	-490.457108
Nuclear repulsion energy	78.455566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2719	2617	3.88
2	A'	2275	2190	7.09
3	A'	995	958	8.31
4	A'	698	672	0.62
5	A'	331	319	4.01
6	A"	394	379	1.27

Atom	x (Å)	y (Å)
S1	-0.071	-1.005
C2	0.000	0.702
N3	-0.018	1.861
H4	1.261	-1.162

	S1	C2	N3	H4
S1		1.7075	2.8657	1.3417
C2	1.7075		1.1592	2.2501
N3	2.8657	1.1592		3.2819
H4	1.3417	2.2501	3.2819

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

using model chemistry: QCISD/aug-cc-pVTZ

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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