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	hartrees
Energy at 0K	-454.156195
Energy at 298.15K
HF Energy	-453.747081
Nuclear repulsion energy	57.731476

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'	3540	3540	9.72	127.78	0.06	0.11
2	A'	2736	2736	4.68	138.59	0.21	0.35
3	A'	1626	1626	12.98	3.41	0.71	0.83
4	A'	1050	1050	8.95	7.04	0.28	0.44
5	A'	888	888	34.74	6.25	0.17	0.29
6	A'	669	669	77.90	8.36	0.23	0.37
7	A"	3643	3643	32.57	40.38	0.75	0.86
8	A"	1138	1138	0.46	0.12	0.75	0.86
9	A"	423	423	45.59	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.014	1.108	0.000
S2	0.014	-0.617	0.000
H3	-1.315	-0.774	0.000
H4	0.495	1.446	0.823
H5	0.495	1.446	-0.823

	N1	S2	H3	H4	H5
N1		1.7256	2.3040	1.0113	1.0113
S2	1.7256		1.3384	2.2732	2.2732
H3	2.3040	1.3384		2.9802	2.9802
H4	1.0113	2.2732	2.9802		1.6459
H5	1.0113	2.2732	2.9802	1.6459

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	S2	H3	96.704		S2	N1	H4	109.532
S2	N1	H5	109.532		H4	N1	H5	108.932

All results from a given calculation for NH₂SH (Thiohydroxylamine)

using model chemistry: MP2/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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All results from a given calculation for NH2SH (Thiohydroxylamine)

using model chemistry: MP2/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂SH (Thiohydroxylamine)