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	hartrees
Energy at 0K	-490.876343
Energy at 298.15K	-490.877072
HF Energy	-490.432134
Nuclear repulsion energy	79.502547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3725	3567	209.80
2	A'	2044	1957	746.71
3	A'	875	837	3.24
4	A'	648	620	468.36
5	A'	449	429	96.42
6	A"	471	451	2.09

Atom	x (Å)	y (Å)
N1	-0.153	1.695
C2	0.000	0.498
S3	0.035	-1.081
H4	0.515	2.447

	N1	C2	S3	H4
N1		1.2066	2.7830	1.0054
C2	1.2066		1.5802	2.0150
S3	2.7830	1.5802		3.5605
H4	1.0054	2.0150	3.5605

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

using model chemistry: QCISD/6-311G*

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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