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	hartrees
Energy at 0K	-490.882740
Energy at 298.15K	-490.883496
HF Energy	-490.427545
Nuclear repulsion energy	78.749514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3674	3559	206.16
2	A'	1994	1931	806.82
3	A'	861	834	1.23
4	A'	689	667	412.08
5	A'	446	432	74.68
6	A"	477	462	3.66

Atom	x (Å)	y (Å)
N1	-0.165	1.713
C2	0.000	0.505
S3	0.038	-1.091
H4	0.551	2.431

	N1	C2	S3	H4
N1		1.2200	2.8116	1.0134
C2	1.2200		1.5959	2.0032
S3	2.8116	1.5959		3.5585
H4	1.0134	2.0032	3.5585

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

using model chemistry: QCISD/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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