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	hartrees
Energy at 0K	-66.621491
Energy at 298.15K	-66.625431
HF Energy	-66.621491
Nuclear repulsion energy	27.052599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3447	3313	2.92
2	A₁	1344	1292	50.93
3	A₁	544	523	7.10
4	E	3582	3443	45.60
4	E	3582	3443	45.61
5	E	1702	1636	55.56
5	E	1702	1636	55.56
6	E	821	789	70.69
6	E	821	789	70.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.161
S2	0.000	0.000	0.788
H3	0.000	0.967	-1.494
H4	0.838	-0.484	-1.494
H5	-0.838	-0.484	-1.494

	N1	S2	H3	H4	H5
N1		1.9497	1.0230	1.0230	1.0230
S2	1.9497		2.4788	2.4788	2.4788
H3	1.0230	2.4788		1.6756	1.6756
H4	1.0230	2.4788	1.6756		1.6756
H5	1.0230	2.4788	1.6756	1.6756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	108.967	S2	N1	H4	108.966
S2	N1	H5	108.966	H3	N1	H4	109.971
H3	N1	H5	109.971	H4	N1	H5	109.971

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYP/LANL2DZ

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	-0.849
2	S	-0.295
3	H	0.381
4	H	0.381
5	H	0.381

	x	y	z	Total
	0.000	0.000	-6.089	6.089
CHELPG
AIM
ESP

<r²>	33.819
(<r²>)^1/2	5.815

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)