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	hartrees
Energy at 0K	-491.644037
Energy at 298.15K	-491.644800
HF Energy	-491.644037
Nuclear repulsion energy	80.152809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3595	277.52
2	A'	2110	2021	693.85
3	A'	895	857	4.80
4	A'	619	593	301.72
5	A'	465	445	130.29
6	A"	507	486	1.21

Atom	x (Å)	y (Å)
N1	-0.141	1.681
C2	0.000	0.492
S3	0.030	-1.073
H4	0.504	2.448

	N1	C2	S3	H4
N1		1.1974	2.7593	1.0015
C2	1.1974		1.5651	2.0195
S3	2.7593	1.5651		3.5522
H4	1.0015	2.0195	3.5522

Number	Element	Mulliken
1	N	-0.519
2	C	0.402
3	S	-0.210
4	H	0.326

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

using model chemistry: B1B95/6-31G(2df,p)

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
	1.086	1.860	0.000	2.153
CHELPG
AIM
ESP

	x	y	z
x	3.072	-0.131	0.000
y	-0.131	8.758	0.000
z	0.000	0.000	2.962

<r²>	60.104
(<r²>)^1/2	7.753