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	hartrees
Energy at 0K	-454.729988
Energy at 298.15K	-454.733953
HF Energy	-454.729988
Nuclear repulsion energy	54.469969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3360	3313	0.03
2	A₁	1288	1270	13.88
3	A₁	579	571	0.77
4	E	3449	3401	57.87
4	E	3449	3401	57.86
5	E	1625	1602	31.66
5	E	1625	1602	31.67
6	E	816	804	20.17
6	E	816	804	20.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.097
S2	0.000	0.000	0.753
H3	0.000	0.954	-1.455
H4	0.826	-0.477	-1.455
H5	-0.826	-0.477	-1.455

	N1	S2	H3	H4	H5
N1		1.8493	1.0194	1.0194	1.0194
S2	1.8493		2.4052	2.4052	2.4052
H3	1.0194	2.4052		1.6530	1.6530
H4	1.0194	2.4052	1.6530		1.6530
H5	1.0194	2.4052	1.6530	1.6530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.587	S2	N1	H4	110.587
S2	N1	H5	110.587	H3	N1	H4	108.333
H3	N1	H5	108.333	H4	N1	H5	108.333

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B97D3/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	0.005
2	S	-0.523
3	H	0.173
4	H	0.173
5	H	0.173

	x	y	z	Total
	0.000	0.000	-5.982	5.982
CHELPG
AIM
ESP

	x	y	z
x	3.270	0.000	0.000
y	0.000	3.270	-0.000
z	0.000	-0.000	5.327

<r²>	38.352
(<r²>)^1/2	6.193

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)