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	hartrees
Energy at 0K	-515.905326
Energy at 298.15K	-515.907964
HF Energy	-515.905326
Nuclear repulsion energy	51.638193

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	3347	5.81	97.86	0.09	0.16
2	A'	1627	1553	32.44	6.16	0.70	0.82
3	A'	1072	1023	89.66	2.40	0.12	0.22
4	A'	713	681	5.93	23.93	0.27	0.43
5	A"	3619	3455	18.24	48.21	0.75	0.86
6	A"	1207	1153	0.02	5.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.042	1.124	0.000
Cl2	-0.042	-0.626	0.000
H3	0.507	1.386	0.816
H4	0.507	1.386	-0.816

	N1	Cl2	H3	H4
N1		1.7492	1.0180	1.0180
Cl2	1.7492		2.2390	2.2390
H3	1.0180	2.2390		1.6327
H4	1.0180	2.2390	1.6327

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.923		Cl2	N1	H4	104.923
H3	N1	H4	106.631

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.639
2	Cl	-0.033
3	H	0.336
4	H	0.336

	x	y	z	Total
	1.848	1.213	0.000	2.210
CHELPG
AIM
ESP

	x	y	z
x	2.345	0.091	0.000
y	0.091	4.118	0.000
z	0.000	0.000	2.420

<r²>	32.872
(<r²>)^1/2	5.733

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for NH₂Cl (chloramine)