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	hartrees
Energy at 0K	-454.510100
Energy at 298.15K	-454.514123
HF Energy	-454.510100
Nuclear repulsion energy	55.204264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3464	3318	2.89
2	A₁	1332	1276	22.57
3	A₁	643	615	2.01
4	E	3569	3418	69.90
4	E	3569	3418	69.88
5	E	1651	1581	32.74
5	E	1651	1581	32.73
6	E	854	818	27.13
6	E	854	818	27.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.077
S2	0.000	0.000	0.740
H3	0.000	0.952	-1.436
H4	0.824	-0.476	-1.436
H5	-0.824	-0.476	-1.436

	N1	S2	H3	H4	H5
N1		1.8169	1.0171	1.0171	1.0171
S2	1.8169		2.3749	2.3749	2.3749
H3	1.0171	2.3749		1.6483	1.6483
H4	1.0171	2.3749	1.6483		1.6483
H5	1.0171	2.3749	1.6483	1.6483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.669	S2	N1	H4	110.669
S2	N1	H5	110.669	H3	N1	H4	108.247
H3	N1	H5	108.247	H4	N1	H5	108.247

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: HSEh1PBE/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	-0.480
2	S	-0.534
3	H	0.338
4	H	0.338
5	H	0.338

	x	y	z	Total
	0.000	0.000	-6.192	6.192
CHELPG
AIM
ESP

	x	y	z
x	3.176	0.000	0.000
y	0.000	3.175	-0.000
z	0.000	-0.000	4.606

<r²>	37.437
(<r²>)^1/2	6.119

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)