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	hartrees
Energy at 0K	-516.157351
Energy at 298.15K	-516.159989
HF Energy	-516.157351
Nuclear repulsion energy	51.500058

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'	3484	3337	5.05	112.41	0.07	0.12
2	A'	1578	1511	20.52	3.44	0.52	0.68
3	A'	1073	1027	58.41	1.46	0.10	0.18
4	A'	710	681	2.40	20.59	0.19	0.32
5	A"	3583	3432	16.41	42.51	0.75	0.86
6	A"	1185	1135	0.09	1.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.044	1.131	0.000
Cl2	-0.044	-0.627	0.000
H3	0.527	1.370	0.810
H4	0.527	1.370	-0.810

	N1	Cl2	H3	H4
N1		1.7575	1.0191	1.0191
Cl2	1.7575		2.2288	2.2288
H3	1.0191	2.2288		1.6191
H4	1.0191	2.2288	1.6191

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	103.571		Cl2	N1	H4	103.571
H3	N1	H4	105.190

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B1B95/aug-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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Number	Element	Mulliken
1	N	-0.349
2	Cl	0.220
3	H	0.065
4	H	0.065

	x	y	z	Total
	1.583	1.213	0.000	1.994
CHELPG
AIM
ESP

	x	y	z
x	3.251	0.118	0.000
y	0.118	4.925	0.000
z	0.000	0.000	3.276

<r²>	32.874
(<r²>)^1/2	5.734

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)