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	hartrees
Energy at 0K	-454.643830
Energy at 298.15K	-454.647851
HF Energy	-454.643830
Nuclear repulsion energy	55.052013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3442	3278	9.80
2	A₁	1334	1271	37.70
3	A₁	647	616	4.05
4	E	3550	3381	84.05
4	E	3549	3381	84.19
5	E	1646	1567	33.94
5	E	1646	1567	33.75
6	E	847	807	25.32
6	E	847	807	24.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.081
S2	0.000	0.000	0.743
H3	0.000	0.953	-1.437
H4	0.826	-0.477	-1.437
H5	-0.826	-0.477	-1.437

	N1	S2	H3	H4	H5
N1		1.8239	1.0176	1.0176	1.0176
S2	1.8239		2.3793	2.3793	2.3793
H3	1.0176	2.3793		1.6511	1.6511
H4	1.0176	2.3793	1.6511		1.6511
H5	1.0176	2.3793	1.6511	1.6511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.481	S2	N1	H4	110.481
S2	N1	H5	110.481	H3	N1	H4	108.443
H3	N1	H5	108.443	H4	N1	H5	108.443

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.494
2	S	-0.521
3	H	0.338
4	H	0.338
5	H	0.338

	x	y	z	Total
	0.000	0.000	-6.120	6.120
CHELPG
AIM
ESP

	x	y	z
x	3.177	0.000	0.000
y	0.000	3.192	0.003
z	0.000	0.003	4.537

<r²>	37.611
(<r²>)^1/2	6.133

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)