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	hartrees
Energy at 0K	-491.381635
Energy at 298.15K	-491.382371
HF Energy	-491.381635
Nuclear repulsion energy	78.845961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3570	3548	173.12
2	A'	1990	1978	615.53
3	A'	865	859	0.62
4	A'	691	687	304.17
5	A'	436	434	43.93
6	A"	460	457	7.60

Atom	x (Å)	y (Å)
N1	-0.195	1.707
C2	0.000	0.500
S3	0.055	-1.088
H4	0.491	2.460

	N1	C2	S3	H4
N1		1.2230	2.8063	1.0183
C2	1.2230		1.5887	2.0207
S3	2.8063	1.5887		3.5747
H4	1.0183	2.0207	3.5747

Number	Element	Mulliken
1	N	-0.003
2	C	-0.159
3	S	0.155
4	H	0.007

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

using model chemistry: PBEPBEultrafine/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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	x	y	z	Total
	1.064	1.432	0.000	1.783
CHELPG
AIM
ESP

	x	y	z
x	4.353	-0.306	0.000
y	-0.306	10.182	0.000
z	0.000	0.000	4.299

<r²>	62.027
(<r²>)^1/2	7.876