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	hartrees
Energy at 0K	-491.595908
Energy at 298.15K	-491.596618
HF Energy	-491.595908
Nuclear repulsion energy	79.527457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3699	314.53
2	A'	2082	2082	887.07
3	A'	888	888	6.03
4	A'	593	593	307.86
5	A'	437	437	145.39
6	A"	482	482	2.89

Atom	x (Å)	y (Å)
N1	-0.149	1.693
C2	0.000	0.500
S3	0.033	-1.082
H4	0.511	2.456

	N1	C2	S3	H4
N1		1.2028	2.7806	1.0090
C2	1.2028		1.5815	2.0222
S3	2.7806	1.5815		3.5700
H4	1.0090	2.0222	3.5700

Number	Element	Mulliken
1	N	0.054
2	C	-0.313
3	S	0.254
4	H	0.006

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

using model chemistry: M06-2X/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
	1.099	1.722	0.000	2.043
CHELPG
AIM
ESP

	x	y	z
x	4.184	-0.209	0.000
y	-0.209	9.821	-0.001
z	0.000	-0.001	4.157

<r²>	61.272
(<r²>)^1/2	7.828