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	hartrees
Energy at 0K	-491.572543
Energy at 298.15K	-491.573303
HF Energy	-491.572543
Nuclear repulsion energy	79.392775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3664	3536	222.46
2	A'	2070	1997	634.66
3	A'	889	858	1.47
4	A'	671	648	317.96
5	A'	450	434	68.55
6	A"	483	466	1.34

Atom	x (Å)	y (Å)
N1	-0.153	1.699
C2	0.000	0.498
S3	0.032	-1.082
H4	0.551	2.428

	N1	C2	S3	H4
N1		1.2102	2.7870	1.0134
C2	1.2102		1.5806	2.0070
S3	2.7870	1.5806		3.5483
H4	1.0134	2.0070	3.5483

Number	Element	Mulliken
1	N	-0.190
2	C	0.105
3	S	-0.075
4	H	0.160

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

using model chemistry: B3PW91/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
	1.190	1.729	0.000	2.099
CHELPG
AIM
ESP

	x	y	z
x	2.429	-0.132	0.000
y	-0.132	8.617	0.000
z	0.000	0.000	2.235

<r²>	60.957
(<r²>)^1/2	7.807