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	hartrees
Energy at 0K	-454.043700
Energy at 298.15K
HF Energy	-453.716092
Nuclear repulsion energy	57.166733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3594	3594	5.88
2	A'	2757	2757	7.60
3	A'	1658	1658	13.09
4	A'	1059	1059	14.15
5	A'	908	908	43.89
6	A'	702	702	54.42
7	A"	3689	3689	21.52
8	A"	1164	1164	0.26
9	A"	410	410	49.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.013	1.124	0.000
S2	0.013	-0.625	0.000
H3	-1.326	-0.776	0.000
H4	0.508	1.453	0.821
H5	0.508	1.453	-0.821

	N1	S2	H3	H4	H5
N1		1.7482	2.3240	1.0134	1.0134
S2	1.7482		1.3476	2.2879	2.2879
H3	2.3240	1.3476		3.0008	3.0008
H4	1.0134	2.2879	3.0008		1.6413
H5	1.0134	2.2879	3.0008	1.6413

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	S2	H3	96.442		S2	N1	H4	108.963
S2	N1	H5	108.963		H4	N1	H5	108.150

All results from a given calculation for NH₂SH (Thiohydroxylamine)

using model chemistry: CISD/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: CISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂SH (Thiohydroxylamine)