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	hartrees
Energy at 0K	-454.226100
Energy at 298.15K
HF Energy	-453.754240
Nuclear repulsion energy	57.757026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3529	3422
2	A'	2677	2596
3	A'	1633	1583
4	A'	1046	1014
5	A'	894	867
6	A'	666	646
7	A"	3623	3513
8	A"	1139	1105
9	A"	421	408

Atom	x (Å)	y (Å)	z (Å)
N1	0.014	1.108	0.000
S2	0.014	-0.616	0.000
H3	-1.318	-0.777	0.000
H4	0.499	1.442	0.821
H5	0.499	1.442	-0.821

	N1	S2	H3	H4	H5
N1		1.7246	2.3083	1.0103	1.0103
S2	1.7246		1.3416	2.2685	2.2685
H3	2.3083	1.3416		2.9832	2.9832
H4	1.0103	2.2685	2.9832		1.6419
H5	1.0103	2.2685	2.9832	1.6419

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	S2	H3	96.877		S2	N1	H4	109.286
S2	N1	H5	109.286		H4	N1	H5	108.688

All results from a given calculation for NH₂SH (Thiohydroxylamine)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVQZ

States and conformations

All results from a given calculation for NH₂SH (Thiohydroxylamine)