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	hartrees
Energy at 0K	-454.280098
Energy at 298.15K
HF Energy	-453.755656
Nuclear repulsion energy	58.173295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3569	3414	11.41	126.81	0.06	0.12
2	A'	2723	2604	5.06	138.90	0.21	0.35
3	A'	1632	1561	13.23	3.53	0.70	0.82
4	A'	1061	1015	7.26	6.94	0.29	0.45
5	A'	883	844	27.94	7.65	0.16	0.28
6	A'	651	622	101.05	5.38	0.25	0.40
7	A"	3675	3515	37.73	39.72	0.75	0.86
8	A"	1133	1084	0.75	0.12	0.75	0.86
9	A"	444	424	43.50	0.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.016	1.096	0.000
S2	0.016	-0.612	0.000
H3	-1.308	-0.777	0.000
H4	0.475	1.449	0.823
H5	0.475	1.449	-0.823

	N1	S2	H3	H4	H5
N1		1.7077	2.2936	1.0068	1.0068
S2	1.7077		1.3342	2.2667	2.2667
H3	2.2936	1.3342		2.9690	2.9690
H4	1.0068	2.2667	2.9690		1.6463
H5	1.0068	2.2667	2.9690	1.6463

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	S2	H3	97.108		S2	N1	H4	110.560
S2	N1	H5	110.560		H4	N1	H5	109.687

All results from a given calculation for NH₂SH (Thiohydroxylamine)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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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All results from a given calculation for NH2SH (Thiohydroxylamine)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for NH₂SH (Thiohydroxylamine)