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	hartrees
Energy at 0K	-491.418437
Energy at 298.15K	-491.419176
HF Energy	-491.418437
Nuclear repulsion energy	79.947932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3731	3579	279.84
2	A'	2097	2012	747.43
3	A'	895	859	5.00
4	A'	613	588	323.24
5	A'	452	433	113.98
6	A"	489	469	1.14

Atom	x (Å)	y (Å)
N1	-0.134	1.686
C2	0.000	0.495
S3	0.026	-1.076
H4	0.522	2.446

	N1	C2	S3	H4
N1		1.1979	2.7662	1.0044
C2	1.1979		1.5714	2.0196
S3	2.7662	1.5714		3.5570
H4	1.0044	2.0196	3.5570

Number	Element	Mulliken
1	N	-0.436
2	C	0.135
3	S	0.040
4	H	0.260

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

using model chemistry: PBE1PBE/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
	1.201	1.901	0.000	2.249
CHELPG
AIM
ESP

	x	y	z
x	2.407	-0.170	0.000
y	-0.170	8.977	0.000
z	0.000	0.000	2.256

<r²>	60.660
(<r²>)^1/2	7.788