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	hartrees
Energy at 0K	-491.641222
Energy at 298.15K	-491.641971
HF Energy	-491.641222
Nuclear repulsion energy	79.415896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3687	3535	203.18
2	A'	2057	1972	615.81
3	A'	878	842	2.06
4	A'	676	648	366.62
5	A'	452	433	57.69
6	A"	478	458	1.63

Atom	x (Å)	y (Å)
N1	-0.172	1.696
C2	0.000	0.497
S3	0.044	-1.082
H4	0.495	2.452

	N1	C2	S3	H4
N1		1.2111	2.7859	1.0086
C2	1.2111		1.5793	2.0171
S3	2.7859	1.5793		3.5627
H4	1.0086	2.0171	3.5627

Number	Element	Mulliken
1	N	-0.539
2	C	0.266
3	S	-0.049
4	H	0.322

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

using model chemistry: TPSSh/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
	1.202	1.901	0.000	2.249
CHELPG
AIM
ESP

	x	y	z
x	2.509	-0.237	0.000
y	-0.237	8.805	0.000
z	0.000	0.000	2.304

<r²>	61.036
(<r²>)^1/2	7.813