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	hartrees
Energy at 0K	-516.174226
Energy at 298.15K	-516.176851
HF Energy	-516.174226
Nuclear repulsion energy	51.239350

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'	3450	3335	4.20	100.11	0.08	0.15
2	A'	1597	1543	21.61	6.21	0.50	0.67
3	A'	1082	1045	63.82	1.89	0.74	0.85
4	A'	676	653	2.88	21.94	0.20	0.34
5	A"	3544	3426	11.17	47.31	0.75	0.86
6	A"	1188	1149	0.00	2.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.139	0.000
Cl2	-0.043	-0.631	0.000
H3	0.522	1.377	0.811
H4	0.522	1.377	-0.811

	N1	Cl2	H3	H4
N1		1.7696	1.0166	1.0166
Cl2	1.7696		2.2376	2.2376
H3	1.0166	2.2376		1.6216
H4	1.0166	2.2376	1.6216

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	103.533		Cl2	N1	H4	103.533
H3	N1	H4	105.799

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B3LYP/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	-0.239
2	Cl	-0.074
3	H	0.156
4	H	0.156

	x	y	z	Total
	1.628	1.193	0.000	2.018
CHELPG
AIM
ESP

	x	y	z
x	2.360	0.208	0.000
y	0.208	4.412	0.000
z	0.000	0.000	2.570

<r²>	33.049
(<r²>)^1/2	5.749

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)