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	hartrees
Energy at 0K	-491.657266
Energy at 298.15K	-491.658023
HF Energy	-491.657266
Nuclear repulsion energy	79.629071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3693	3550	238.63
2	A'	2089	2008	666.57
3	A'	896	861	1.89
4	A'	657	631	313.22
5	A'	449	432	82.48
6	A"	487	468	0.99

Atom	x (Å)	y (Å)
N1	-0.146	1.694
C2	0.000	0.497
S3	0.029	-1.079
H4	0.554	2.423

	N1	C2	S3	H4
N1		1.2062	2.7786	1.0107
C2	1.2062		1.5761	2.0044
S3	2.7786	1.5761		3.5412
H4	1.0107	2.0044	3.5412

Number	Element	Mulliken
1	N	-0.182
2	C	0.101
3	S	-0.076
4	H	0.156

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

using model chemistry: B1B95/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
	1.191	1.737	0.000	2.106
CHELPG
AIM
ESP

	x	y	z
x	2.417	-0.112	0.000
y	-0.112	8.559	0.000
z	0.000	0.000	2.229

<r²>	60.660
(<r²>)^1/2	7.788