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	hartrees
Energy at 0K	-454.560967
Energy at 298.15K	-454.564990
HF Energy	-454.560967
Nuclear repulsion energy	55.093492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3463	3328	2.21
2	A₁	1330	1278	27.68
3	A₁	637	612	2.13
4	E	3558	3420	73.20
4	E	3558	3420	73.20
5	E	1652	1588	35.25
5	E	1652	1588	35.25
6	E	850	817	20.91
6	E	850	817	20.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.081
S2	0.000	0.000	0.742
H3	0.000	0.951	-1.437
H4	0.823	-0.475	-1.437
H5	-0.823	-0.475	-1.437

	N1	S2	H3	H4	H5
N1		1.8237	1.0151	1.0151	1.0151
S2	1.8237		2.3776	2.3776	2.3776
H3	1.0151	2.3776		1.6468	1.6468
H4	1.0151	2.3776	1.6468		1.6468
H5	1.0151	2.3776	1.6468	1.6468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.504	S2	N1	H4	110.504
S2	N1	H5	110.504	H3	N1	H4	108.419
H3	N1	H5	108.419	H4	N1	H5	108.419

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.003
2	S	-0.529
3	H	0.175
4	H	0.175
5	H	0.175

	x	y	z	Total
	0.000	0.000	-6.022	6.022
CHELPG
AIM
ESP

	x	y	z
x	3.225	0.000	0.000
y	0.000	3.224	-0.000
z	0.000	-0.000	5.134

<r²>	37.711
(<r²>)^1/2	6.141

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)