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	hartrees
Energy at 0K	-454.757945
Energy at 298.15K	-454.761972
HF Energy	-454.757945
Nuclear repulsion energy	55.297430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3476	3476	2.10
2	A₁	1339	1339	34.26
3	A₁	643	643	2.16
4	E	3569	3569	75.22
4	E	3569	3569	75.22
5	E	1656	1656	31.80
5	E	1656	1656	31.79
6	E	854	854	15.20
6	E	854	854	15.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.076
S2	0.000	0.000	0.739
H3	0.000	0.949	-1.432
H4	0.822	-0.475	-1.432
H5	-0.822	-0.475	-1.432

	N1	S2	H3	H4	H5
N1		1.8154	1.0135	1.0135	1.0135
S2	1.8154		2.3695	2.3695	2.3695
H3	1.0135	2.3695		1.6438	1.6438
H4	1.0135	2.3695	1.6438		1.6438
H5	1.0135	2.3695	1.6438	1.6438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.549	S2	N1	H4	110.549
S2	N1	H5	110.549	H3	N1	H4	108.372
H3	N1	H5	108.372	H4	N1	H5	108.372

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B1B95/6-311+G(3df,2p)

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	-0.184
2	S	-0.499
3	H	0.228
4	H	0.228
5	H	0.228

	x	y	z	Total
	0.000	0.000	-5.961	5.961
CHELPG
AIM
ESP

	x	y	z
x	4.858	0.000	0.000
y	0.000	4.858	-0.001
z	0.000	-0.001	5.838

<r²>	37.743
(<r²>)^1/2	6.144

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)