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	hartrees
Energy at 0K	-491.612614
Energy at 298.15K	-491.613365
HF Energy	-491.612614
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3714	3555	259.04
2	A'	2064	1976	851.67
3	A'	886	848	3.12
4	A'	650	622	343.35
5	A'	449	429	90.66
6	A"	483	463	2.77

Atom	x (Å)	y (Å)
N1	-0.147	1.696
C2	0.000	0.500
S3	0.031	-1.082
H4	0.538	2.436

	N1	C2	S3	H4
N1		1.2057	2.7838	1.0087
C2	1.2057		1.5818	2.0098
S3	2.7838	1.5818		3.5542
H4	1.0087	2.0098	3.5542

Number	Element	Mulliken
1	N	0.001
2	C	-0.208
3	S	0.168
4	H	0.039

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

using model chemistry: wB97X-D/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
	1.142	1.675	0.000	2.027
CHELPG
AIM
ESP

	x	y	z
x	4.258	-0.200	0.000
y	-0.200	9.899	0.000
z	0.000	0.000	4.217

<r²>	61.258
(<r²>)^1/2	7.827