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	hartrees
Energy at 0K	-454.539490
Energy at 298.15K	-454.543517
HF Energy	-454.539490
Nuclear repulsion energy	55.160385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3464	3329	2.12
2	A₁	1330	1278	27.70
3	A₁	644	619	1.99
4	E	3559	3420	73.29
4	E	3559	3420	73.29
5	E	1651	1587	35.20
5	E	1651	1587	35.20
6	E	852	819	20.92
6	E	852	819	20.92

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.079
S2	0.000	0.000	0.741
H3	0.000	0.951	-1.435
H4	0.824	-0.475	-1.435
H5	-0.824	-0.475	-1.435

	N1	S2	H3	H4	H5
N1		1.8204	1.0154	1.0154	1.0154
S2	1.8204		2.3751	2.3751	2.3751
H3	1.0154	2.3751		1.6470	1.6470
H4	1.0154	2.3751	1.6470		1.6470
H5	1.0154	2.3751	1.6470	1.6470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.530	S2	N1	H4	110.530
S2	N1	H5	110.530	H3	N1	H4	108.392
H3	N1	H5	108.392	H4	N1	H5	108.392

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: PBE1PBE/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	0.001
2	S	-0.531
3	H	0.177
4	H	0.177
5	H	0.177

	x	y	z	Total
	0.000	0.000	-6.030	6.030
CHELPG
AIM
ESP

	x	y	z
x	3.229	0.000	0.000
y	0.000	3.229	-0.000
z	0.000	-0.000	5.122

<r²>	37.631
(<r²>)^1/2	6.134

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)