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	hartrees
Energy at 0K	-516.030986
Energy at 298.15K
HF Energy	-515.843339
Nuclear repulsion energy	51.666159

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'	3477	3477	4.51	101.44	0.08	0.14
2	A'	1609	1609	21.00	6.52	0.52	0.69
3	A'	1075	1075	64.57	1.39	0.72	0.84
4	A'	696	696	3.16	20.44	0.21	0.35
5	A"	3573	3573	14.60	46.97	0.75	0.86
6	A"	1199	1199	0.01	3.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.126	0.000
Cl2	-0.043	-0.625	0.000
H3	0.516	1.372	0.810
H4	0.516	1.372	-0.810

	N1	Cl2	H3	H4
N1		1.7512	1.0147	1.0147
Cl2	1.7512		2.2269	2.2269
H3	1.0147	2.2269		1.6210
H4	1.0147	2.2269	1.6210

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.049		Cl2	N1	H4	104.049
H3	N1	H4	106.017

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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 NH2Cl (chloramine)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

All results from a given calculation for NH₂Cl (chloramine)