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	hartrees
Energy at 0K	-490.892832
Energy at 298.15K	-490.893592
HF Energy	-490.428055
Nuclear repulsion energy	78.943620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3686	3686	223.76
2	A'	2019	2019	876.27
3	A'	873	873	2.27
4	A'	670	670	414.58
5	A'	450	450	93.76
6	A"	485	485	3.53

Atom	x (Å)	y (Å)
N1	-0.160	1.709
C2	0.000	0.503
S3	0.036	-1.088
H4	0.548	2.433

	N1	C2	S3	H4
N1		1.2163	2.8041	1.0122
C2	1.2163		1.5919	2.0057
S3	2.8041	1.5919		3.5579
H4	1.0122	2.0057	3.5579

All results from a given calculation for HNCS (Isothiocyanic acid)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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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