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	hartrees
Energy at 0K	-485.996212
Energy at 298.15K	-485.996870
HF Energy	-485.996212
Nuclear repulsion energy	78.522031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3588	3202	33.98
2	A'	2097	1872	236.64
3	A'	922	823	1.46
4	A'	855	763	286.81
5	A'	429	383	19.35
6	A"	454	405	3.61

Atom	x (Å)	y (Å)
N1	-0.334	1.701
C2	0.000	0.485
S3	0.120	-1.079
H4	0.418	2.446

	N1	C2	S3	H4
N1		1.2616	2.8173	1.0579
C2	1.2616		1.5685	2.0049
S3	2.8173	1.5685		3.5373
H4	1.0579	2.0049	3.5373

Number	Element	Mulliken
1	N	-0.314
2	C	-0.044
3	S	0.151
4	H	0.208

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

using model chemistry: B3LYP/STO-3G

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
	1.290	0.323	0.000	1.330
CHELPG
AIM
ESP

	x	y	z
x	0.929	-0.308	0.000
y	-0.308	5.711	0.000
z	0.000	0.000	0.553

<r²>	60.434
(<r²>)^1/2	7.774