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	hartrees
Energy at 0K	-453.747940
Energy at 298.15K
HF Energy	-453.747940
Nuclear repulsion energy	58.476969

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'	3757	3399	10.68	106.32	0.08	0.14
2	A'	2828	2558	8.96	140.57	0.24	0.39
3	A'	1763	1595	14.57	2.21	0.75	0.86
4	A'	1126	1018	11.44	5.84	0.36	0.53
5	A'	917	830	29.55	9.46	0.24	0.38
6	A'	705	638	125.53	9.27	0.28	0.43
7	A"	3853	3486	35.96	43.20	0.75	0.86
8	A"	1209	1094	0.89	0.13	0.75	0.86
9	A"	452	409	47.72	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	1.089	0.000
S2	0.018	-0.609	0.000
H3	-1.299	-0.799	0.000
H4	0.445	1.460	0.818
H5	0.445	1.460	-0.818

	N1	S2	H3	H4	H5
N1		1.6981	2.3015	0.9949	0.9949
S2	1.6981		1.3302	2.2655	2.2655
H3	2.3015	1.3302		2.9685	2.9685
H4	0.9949	2.2655	2.9685		1.6369
H5	0.9949	2.2655	2.9685	1.6369

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	S2	H3	98.192		S2	N1	H4	111.877
S2	N1	H5	111.877		H4	N1	H5	110.691

All results from a given calculation for NH₂SH (Thiohydroxylamine)

using model chemistry: HF/daug-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	-0.520
2	S	-0.310
3	H	0.271
4	H	0.279
5	H	0.279

	x	y	z	Total
	0.407	0.994	0.000	1.075
CHELPG
AIM
ESP

	x	y	z
x	4.283	0.260	0.000
y	0.260	5.347	0.000
z	0.000	0.000	4.260

<r²>	34.861
(<r²>)^1/2	5.904

All results from a given calculation for NH2SH (Thiohydroxylamine)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂SH (Thiohydroxylamine)