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	hartrees
Energy at 0K	-454.700731
Energy at 298.15K	-454.704760
HF Energy	-454.700731
Nuclear repulsion energy	54.991834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3439	3285	7.39
2	A₁	1342	1282	36.63
3	A₁	646	617	3.98
4	E	3539	3380	84.31
4	E	3538	3380	84.29
5	E	1652	1577	34.38
5	E	1652	1577	34.28
6	E	852	814	21.41
6	E	851	813	21.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.084
S2	0.000	0.000	0.744
H3	0.000	0.951	-1.440
H4	0.824	-0.476	-1.440
H5	-0.824	-0.476	-1.440

	N1	S2	H3	H4	H5
N1		1.8276	1.0160	1.0160	1.0160
S2	1.8276		2.3824	2.3824	2.3824
H3	1.0160	2.3824		1.6478	1.6478
H4	1.0160	2.3824	1.6478		1.6478
H5	1.0160	2.3824	1.6478	1.6478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.550	S2	N1	H4	110.550
S2	N1	H5	110.550	H3	N1	H4	108.371
H3	N1	H5	108.371	H4	N1	H5	108.371

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: M06-2X/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	-0.135
2	S	-0.501
3	H	0.212
4	H	0.212
5	H	0.212

	x	y	z	Total
	0.000	0.000	-5.944	5.944
CHELPG
AIM
ESP

	x	y	z
x	3.227	0.000	0.000
y	0.000	3.236	0.001
z	0.000	0.001	5.070

<r²>	37.862
(<r²>)^1/2	6.153

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)