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	hartrees
Energy at 0K	-454.670390
Energy at 298.15K	-454.674404
HF Energy	-454.670390
Nuclear repulsion energy	54.664390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3430	3430	6.81
2	A₁	1314	1314	50.33
3	A₁	640	640	3.64
4	E	3542	3542	83.74
4	E	3542	3542	83.51
5	E	1613	1613	33.26
5	E	1613	1613	33.28
6	E	837	837	14.83
6	E	836	836	14.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.092
S2	0.000	0.000	0.749
H3	0.000	0.955	-1.448
H4	0.827	-0.477	-1.448
H5	-0.827	-0.477	-1.448

	N1	S2	H3	H4	H5
N1		1.8407	1.0193	1.0193	1.0193
S2	1.8407		2.3955	2.3955	2.3955
H3	1.0193	2.3955		1.6541	1.6541
H4	1.0193	2.3955	1.6541		1.6541
H5	1.0193	2.3955	1.6541	1.6541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.456	S2	N1	H4	110.456
S2	N1	H5	110.456	H3	N1	H4	108.469
H3	N1	H5	108.469	H4	N1	H5	108.469

All results from a given calculation for NH₃S (sulfidoazane)

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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Number	Element	Mulliken
1	N	-0.118
2	S	-0.135
3	H	0.084
4	H	0.084
5	H	0.084

	x	y	z	Total
	0.000	0.000	-5.928	5.928
CHELPG
AIM
ESP

	x	y	z
x	4.984	0.000	0.000
y	0.000	5.010	-0.004
z	0.000	-0.004	6.023

<r²>	38.459
(<r²>)^1/2	6.202

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)