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	hartrees
Energy at 0K	-490.883021
Energy at 298.15K	-490.883778
HF Energy	-490.426826
Nuclear repulsion energy	78.880586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3688	3574	260.06
2	A'	2014	1952	720.13
3	A'	889	861	0.82
4	A'	654	633	404.01
5	A'	453	439	71.66
6	A"	482	467	9.63

Atom	x (Å)	y (Å)
N1	-0.200	1.705
C2	0.000	0.497
S3	0.060	-1.088
H4	0.447	2.484

	N1	C2	S3	H4
N1		1.2245	2.8052	1.0124
C2	1.2245		1.5862	2.0360
S3	2.8052	1.5862		3.5923
H4	1.0124	2.0360	3.5923

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

using model chemistry: MP2=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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