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	hartrees
Energy at 0K	-515.957734
Energy at 298.15K	-515.960376
HF Energy	-515.957734
Nuclear repulsion energy	52.055967

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'	3500	3500	5.90	99.65	0.07	0.14
2	A'	1605	1605	21.44	2.79	0.63	0.78
3	A'	1061	1061	64.84	1.68	0.11	0.20
4	A'	721	721	3.84	17.10	0.18	0.31
5	A"	3594	3594	19.92	42.20	0.75	0.86
6	A"	1205	1205	0.01	1.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.114	0.000
Cl2	-0.043	-0.620	0.000
H3	0.511	1.370	0.811
H4	0.511	1.370	-0.811

	N1	Cl2	H3	H4
N1		1.7334	1.0154	1.0154
Cl2	1.7334		2.2195	2.2195
H3	1.0154	2.2195		1.6226
H4	1.0154	2.2195	1.6226

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.652		Cl2	N1	H4	104.652
H3	N1	H4	106.069

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.254
2	Cl	-0.136
3	H	0.195
4	H	0.195

	x	y	z	Total
	1.561	1.218	0.000	1.980
CHELPG
AIM
ESP

	x	y	z
x	3.218	0.084	0.000
y	0.084	4.796	0.000
z	0.000	0.000	3.265

<r²>	32.453
(<r²>)^1/2	5.697

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂Cl (chloramine)