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	hartrees
Energy at 0K	-491.397449
Energy at 298.15K	-491.398193
HF Energy	-491.397449
Nuclear repulsion energy	79.730405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3752	3581	262.55
2	A'	2106	2010	682.05
3	A'	896	855	4.07
4	A'	638	609	348.98
5	A'	454	434	86.43
6	A"	487	465	0.62

Atom	x (Å)	y (Å)
N1	-0.148	1.690
C2	0.000	0.496
S3	0.033	-1.078
H4	0.507	2.452

	N1	C2	S3	H4
N1		1.2034	2.7744	1.0049
C2	1.2034		1.5745	2.0210
S3	2.7744	1.5745		3.5622
H4	1.0049	2.0210	3.5622

Number	Element	Mulliken
1	N	-0.539
2	C	0.271
3	S	-0.058
4	H	0.326

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

using model chemistry: HSEh1PBE/6-31G**

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
	1.213	1.967	0.000	2.311
CHELPG
AIM
ESP

	x	y	z
x	2.484	-0.185	0.000
y	-0.185	8.729	0.000
z	0.000	0.000	2.305

<r²>	60.715
(<r²>)^1/2	7.792