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	hartrees
Energy at 0K	-491.655450
Energy at 298.15K	-491.656207
HF Energy	-491.655450
Nuclear repulsion energy	79.974552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3570	228.77
2	A'	2095	2000	750.03
3	A'	895	854	3.79
4	A'	644	615	375.80
5	A'	459	438	93.28
6	A"	491	468	1.41

Atom	x (Å)	y (Å)
N1	-0.139	1.684
C2	0.000	0.495
S3	0.029	-1.076
H4	0.509	2.449

	N1	C2	S3	H4
N1		1.1975	2.7653	1.0026
C2	1.1975		1.5711	2.0195
S3	2.7653	1.5711		3.5576
H4	1.0026	2.0195	3.5576

Number	Element	Mulliken
1	N	-0.598
2	C	0.182
3	S	0.040
4	H	0.376

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

using model chemistry: mPW1PW91/6-311G*

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
	1.256	1.915	0.000	2.290
CHELPG
AIM
ESP

	x	y	z
x	2.380	-0.211	0.000
y	-0.211	8.936	0.000
z	0.000	0.000	2.234

<r²>	60.601
(<r²>)^1/2	7.785