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	hartrees
Energy at 0K	-491.445865
Energy at 298.15K	-491.441353
HF Energy	-491.633518
Nuclear repulsion energy	79.423434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3675	3529	206.75
2	A'	2067	1985	644.68
3	A'	876	842	2.43
4	A'	669	643	378.76
5	A'	454	436	64.59
6	A"	482	463	0.66

Atom	x (Å)	y (Å)
N1	-0.154	1.696
C2	0.000	0.498
S3	0.035	-1.082
H4	0.514	2.452

	N1	C2	S3	H4
N1		1.2080	2.7853	1.0090
C2	1.2080		1.5811	2.0202
S3	2.7853	1.5811		3.5666
H4	1.0090	2.0202	3.5666

Number	Element	Mulliken
1	N	-0.576
2	C	0.278
3	S	-0.074
4	H	0.372

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

using model chemistry: G3B3

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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	x	y	z	Total
	1.234	1.906	0.000	2.271
CHELPG
AIM
ESP

<r²>	61.099
(<r²>)^1/2	7.817