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	hartrees
Energy at 0K	-454.507071
Energy at 298.15K	-454.511055
HF Energy	-454.507071
Nuclear repulsion energy	54.642684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3299	0.35
2	A₁	1275	1261	18.19
3	A₁	614	607	0.17
4	E	3417	3379	66.44
4	E	3417	3379	66.45
5	E	1597	1579	29.64
5	E	1597	1579	29.65
6	E	817	808	12.69
6	E	817	808	12.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.089
S2	0.000	0.000	0.748
H3	0.000	0.960	-1.449
H4	0.831	-0.480	-1.449
H5	-0.831	-0.480	-1.449

	N1	S2	H3	H4	H5
N1		1.8377	1.0248	1.0248	1.0248
S2	1.8377		2.3980	2.3980	2.3980
H3	1.0248	2.3980		1.6619	1.6619
H4	1.0248	2.3980	1.6619		1.6619
H5	1.0248	2.3980	1.6619	1.6619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.566	S2	N1	H4	110.566
S2	N1	H5	110.566	H3	N1	H4	108.355
H3	N1	H5	108.355	H4	N1	H5	108.355

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: PBEPBEultrafine/aug-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	0.090
2	S	-0.489
3	H	0.133
4	H	0.133
5	H	0.133

	x	y	z	Total
	0.000	0.000	-5.915	5.915
CHELPG
AIM
ESP

	x	y	z
x	5.707	0.000	0.000
y	0.000	5.707	-0.000
z	0.000	-0.000	6.623

<r²>	38.544
(<r²>)^1/2	6.208

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)