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	hartrees
Energy at 0K	-491.607505
Energy at 298.15K	-491.608169
HF Energy	-491.607505
Nuclear repulsion energy	79.937379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3751	330.09
2	A'	2112	2112	863.11
3	A'	887	887	10.01
4	A'	551	551	254.96
5	A'	427	427	262.60
6	A"	483	483	0.96

Atom	x (Å)	y (Å)
N1	-0.125	1.683
C2	0.000	0.497
S3	0.025	-1.078
H4	0.483	2.481

	N1	C2	S3	H4
N1		1.1918	2.7646	1.0036
C2	1.1918		1.5755	2.0417
S3	2.7646	1.5755		3.5885
H4	1.0036	2.0417	3.5885

Number	Element	Mulliken
1	N	-0.616
2	C	0.205
3	S	0.022
4	H	0.389

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

using model chemistry: M06-2X/6-311G*

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
	1.210	2.135	0.000	2.454
CHELPG
AIM
ESP

	x	y	z
x	2.368	-0.197	0.000
y	-0.197	9.066	0.000
z	0.000	0.000	2.244

<r²>	60.786
(<r²>)^1/2	7.797