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	hartrees
Energy at 0K	-516.138716
Energy at 298.15K	-516.141358
HF Energy	-516.138716
Nuclear repulsion energy	51.814259

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'	3505	3505	5.32	111.62	0.06	0.12
2	A'	1608	1608	20.52	2.46	0.65	0.79
3	A'	1063	1063	62.10	2.05	0.07	0.13
4	A'	728	728	3.14	18.68	0.19	0.32
5	A"	3599	3599	18.78	40.06	0.75	0.86
6	A"	1204	1204	0.12	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.121	0.000
Cl2	-0.043	-0.623	0.000
H3	0.511	1.373	0.812
H4	0.511	1.373	-0.812

	N1	Cl2	H3	H4
N1		1.7445	1.0142	1.0142
Cl2	1.7445		2.2253	2.2253
H3	1.0142	2.2253		1.6235
H4	1.0142	2.2253	1.6235

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.400		Cl2	N1	H4	104.400
H3	N1	H4	106.329

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: wB97X-D/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	-0.261
2	Cl	-0.155
3	H	0.208
4	H	0.208

	x	y	z	Total
	1.559	1.210	0.000	1.973
CHELPG
AIM
ESP

	x	y	z
x	3.504	0.092	0.000
y	0.092	5.038	0.000
z	0.000	0.000	3.512

<r²>	32.590
(<r²>)^1/2	5.709

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)