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	hartrees
Energy at 0K	-454.712695
Energy at 298.15K	-454.716670
HF Energy	-454.712695
Nuclear repulsion energy	54.011058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3440	3317	9.08
2	A₁	1356	1307	18.50
3	A₁	579	558	8.44
4	E	3542	3416	86.17
4	E	3542	3416	86.18
5	E	1656	1597	35.21
5	E	1656	1597	35.20
6	E	835	805	32.04
6	E	835	805	32.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.110
S2	0.000	0.000	0.761
H3	0.000	0.954	-1.470
H4	0.826	-0.477	-1.470
H5	-0.826	-0.477	-1.470

	N1	S2	H3	H4	H5
N1		1.8706	1.0199	1.0199	1.0199
S2	1.8706		2.4261	2.4261	2.4261
H3	1.0199	2.4261		1.6528	1.6528
H4	1.0199	2.4261	1.6528		1.6528
H5	1.0199	2.4261	1.6528	1.6528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.668	S2	N1	H4	110.668
S2	N1	H5	110.668	H3	N1	H4	108.249
H3	N1	H5	108.249	H4	N1	H5	108.249

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYP/6-31+G**

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	-0.759
2	S	-0.374
3	H	0.378
4	H	0.378
5	H	0.378

	x	y	z	Total
	0.000	0.000	-6.341	6.341
CHELPG
AIM
ESP

	x	y	z
x	3.864	0.000	0.000
y	0.000	3.864	-0.000
z	0.000	-0.000	5.425

<r²>	39.300
(<r²>)^1/2	6.269

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)