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	hartrees
Energy at 0K	-491.688365
Energy at 298.15K	-491.689102
HF Energy	-491.688365
Nuclear repulsion energy	79.679480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3681	3558	248.25
2	A'	2058	1989	716.02
3	A'	873	844	3.52
4	A'	633	612	349.60
5	A'	451	436	85.37
6	A"	482	466	1.41

Atom	x (Å)	y (Å)
N1	-0.138	1.691
C2	0.000	0.498
S3	0.028	-1.080
H4	0.523	2.449

	N1	C2	S3	H4
N1		1.2005	2.7757	1.0062
C2	1.2005		1.5784	2.0198
S3	2.7757	1.5784		3.5636
H4	1.0062	2.0198	3.5636

Number	Element	Mulliken
1	N	-0.400
2	C	0.112
3	S	0.034
4	H	0.255

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

using model chemistry: B3LYP/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
	1.194	1.863	0.000	2.212
CHELPG
AIM
ESP

	x	y	z
x	2.427	-0.165	0.000
y	-0.165	9.084	0.000
z	0.000	0.000	2.268

<r²>	61.070
(<r²>)^1/2	7.815