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	hartrees
Energy at 0K	-491.578216
Energy at 298.15K	-491.578930
HF Energy	-491.578216
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3774	292.44
2	A'	2105	2105	743.75
3	A'	887	887	6.43
4	A'	607	607	336.98
5	A'	443	443	124.38
6	A"	485	485	0.19

Atom	x (Å)	y (Å)
N1	-0.139	1.690
C2	0.000	0.497
S3	0.029	-1.080
H4	0.507	2.458

	N1	C2	S3	H4
N1		1.2011	2.7752	1.0042
C2	1.2011		1.5774	2.0256
S3	2.7752	1.5774		3.5703
H4	1.0042	2.0256	3.5703

Number	Element	Mulliken
1	N	-0.546
2	C	0.298
3	S	-0.086
4	H	0.334

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

using model chemistry: wB97X-D/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
	1.226	2.093	0.000	2.426
CHELPG
AIM
ESP

	x	y	z
x	2.467	-0.180	0.000
y	-0.180	8.768	0.000
z	0.000	0.000	2.300

<r²>	60.772
(<r²>)^1/2	7.796