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	hartrees
Energy at 0K	-491.198509
Energy at 298.15K	-491.199256
HF Energy	-490.459412
Nuclear repulsion energy	80.098033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3762	293.19
2	A'	2067	2067	918.27
3	A'	891	891	8.10
4	A'	601	601	324.55
5	A'	456	456	197.56
6	A"	506	506	3.00

Atom	x (Å)	y (Å)
N1	-0.136	1.682
C2	0.000	0.494
S3	0.027	-1.074
H4	0.515	2.443

	N1	C2	S3	H4
N1		1.1963	2.7613	1.0011
C2	1.1963		1.5681	2.0163
S3	2.7613	1.5681		3.5509
H4	1.0011	2.0163	3.5509

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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