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	hartrees
Energy at 0K	-515.876503
Energy at 298.15K	-515.879109
HF Energy	-515.876503
Nuclear repulsion energy	50.653547

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'	3327	3306	4.01	123.23	0.07	0.13
2	A'	1520	1511	18.59	4.40	0.49	0.66
3	A'	1060	1054	48.91	2.35	0.08	0.15
4	A'	659	655	1.46	17.44	0.17	0.29
5	A"	3426	3405	9.13	45.60	0.75	0.86
6	A"	1136	1129	0.06	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.046	1.154	0.000
Cl2	-0.046	-0.637	0.000
H3	0.549	1.377	0.814
H4	0.549	1.377	-0.814

	N1	Cl2	H3	H4
N1		1.7906	1.0329	1.0329
Cl2	1.7906		2.2522	2.2522
H3	1.0329	2.2522		1.6282
H4	1.0329	2.2522	1.6282

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	102.480		Cl2	N1	H4	102.480
H3	N1	H4	104.034

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: PBEPBE/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	-0.328
2	Cl	0.187
3	H	0.070
4	H	0.070

	x	y	z	Total
	1.569	1.195	0.000	1.972
CHELPG
AIM
ESP

	x	y	z
x	3.470	0.118	0.000
y	0.118	5.158	0.000
z	0.000	0.000	3.451

<r²>	33.720
(<r²>)^1/2	5.807

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)