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	hartrees
Energy at 0K	-491.005617
Energy at 298.15K	-491.006365
HF Energy	-490.464605
Nuclear repulsion energy	79.674570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3717	3577	255.67
2	A'	2030	1954	834.35
3	A'	872	839	4.59
4	A'	628	604	375.60
5	A'	454	437	125.84
6	A"	492	474	3.07

Atom	x (Å)	y (Å)
N1	-0.146	1.692
C2	0.000	0.499
S3	0.031	-1.079
H4	0.532	2.432

	N1	C2	S3	H4
N1		1.2026	2.7772	1.0031
C2	1.2026		1.5782	2.0054
S3	2.7772	1.5782		3.5470
H4	1.0031	2.0054	3.5470

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

using model chemistry: QCISD/aug-cc-pVTZ

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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