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	hartrees
Energy at 0K	-454.641132
Energy at 298.15K	-454.645146
HF Energy	-454.641132
Nuclear repulsion energy	54.533531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3450	3285	17.34
2	A₁	1382	1316	28.91
3	A₁	621	591	10.07
4	E	3559	3389	99.67
4	E	3559	3389	99.56
5	E	1655	1576	36.83
5	E	1655	1576	36.82
6	E	855	814	33.16
6	E	855	814	32.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.095
S2	0.000	0.000	0.752
H3	0.000	0.953	-1.455
H4	0.825	-0.477	-1.455
H5	-0.825	-0.477	-1.455

	N1	S2	H3	H4	H5
N1		1.8463	1.0191	1.0191	1.0191
S2	1.8463		2.4041	2.4041	2.4041
H3	1.0191	2.4041		1.6507	1.6507
H4	1.0191	2.4041	1.6507		1.6507
H5	1.0191	2.4041	1.6507	1.6507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.737	S2	N1	H4	110.737
S2	N1	H5	110.737	H3	N1	H4	108.177
H3	N1	H5	108.177	H4	N1	H5	108.177

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: M06-2X/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	-0.819
2	S	-0.364
3	H	0.394
4	H	0.394
5	H	0.394

	x	y	z	Total
	0.000	0.000	-6.375	6.375
CHELPG
AIM
ESP

	x	y	z
x	3.641	0.000	0.000
y	0.000	3.654	-0.001
z	0.000	-0.001	5.147

<r²>	38.628
(<r²>)^1/2	6.215

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)