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	hartrees
Energy at 0K	-491.675498
Energy at 298.15K	-491.676263
HF Energy	-491.675498
Nuclear repulsion energy	79.206696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3628	3510	187.57
2	A'	2019	1953	693.98
3	A'	875	846	0.87
4	A'	697	674	336.93
5	A'	449	434	54.70
6	A"	475	459	5.98

Atom	x (Å)	y (Å)
N1	-0.184	1.700
C2	0.000	0.499
S3	0.049	-1.084
H4	0.502	2.445

	N1	C2	S3	H4
N1		1.2150	2.7935	1.0127
C2	1.2150		1.5836	2.0098
S3	2.7935	1.5836		3.5578
H4	1.0127	2.0098	3.5578

Number	Element	Mulliken
1	N	-0.071
2	C	-0.147
3	S	0.174
4	H	0.044

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

using model chemistry: TPSSh/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
	1.095	1.526	0.000	1.878
CHELPG
AIM
ESP

	x	y	z
x	4.283	-0.274	0.000
y	-0.274	9.962	0.000
z	0.000	0.000	4.231

<r²>	61.530
(<r²>)^1/2	7.844