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	hartrees
Energy at 0K	-454.062113
Energy at 298.15K
HF Energy	-453.715537
Nuclear repulsion energy	56.938619

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'	3508	3508	6.94	127.17	0.06	0.11
2	A'	2738	2738	4.93	141.02	0.21	0.35
3	A'	1611	1611	12.98	3.36	0.71	0.83
4	A'	1037	1037	12.15	7.20	0.29	0.44
5	A'	896	896	41.97	4.08	0.20	0.33
6	A'	675	675	48.56	13.48	0.21	0.35
7	A"	3616	3616	23.91	41.67	0.75	0.86
8	A"	1137	1137	0.27	0.14	0.75	0.86
9	A"	406	406	49.22	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.012	1.130	0.000
S2	0.012	-0.627	0.000
H3	-1.330	-0.768	0.000
H4	0.523	1.448	0.823
H5	0.523	1.448	-0.823

	N1	S2	H3	H4	H5
N1		1.7568	2.3240	1.0196	1.0196
S2	1.7568		1.3494	2.2904	2.2904
H3	2.3240	1.3494		3.0034	3.0034
H4	1.0196	2.2904	3.0034		1.6459
H5	1.0196	2.2904	3.0034	1.6459

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	S2	H3	95.978		S2	N1	H4	108.219
S2	N1	H5	108.219		H4	N1	H5	107.635

All results from a given calculation for NH₂SH (Thiohydroxylamine)

using model chemistry: MP2=FULL/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂SH (Thiohydroxylamine)