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	hartrees
Energy at 0K	-491.188669
Energy at 298.15K	-491.189428
HF Energy	-490.462249
Nuclear repulsion energy	80.110010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3742	274.57
2	A'	2068	2068	852.80
3	A'	891	891	6.38
4	A'	617	617	340.61
5	A'	459	459	179.15
6	A"	509	509	1.87

Atom	x (Å)	y (Å)
N1	-0.133	1.684
C2	0.000	0.494
S3	0.025	-1.074
H4	0.537	2.426

	N1	C2	S3	H4
N1		1.1968	2.7617	1.0002
C2	1.1968		1.5680	2.0051
S3	2.7617	1.5680		3.5370
H4	1.0002	2.0051	3.5370

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

using model chemistry: CCSD=FULL/Def2TZVPP

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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