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	hartrees
Energy at 0K	-516.136087
Energy at 298.15K	-516.138674
HF Energy	-516.136087
Nuclear repulsion energy	50.585861

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'	3329	3311	4.56	105.02	0.08	0.15
2	A'	1552	1543	20.37	3.42	0.63	0.77
3	A'	1063	1057	51.81	2.05	0.09	0.16
4	A'	621	618	1.56	18.92	0.18	0.31
5	A"	3418	3399	10.30	46.05	0.75	0.86
6	A"	1146	1139	0.02	1.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.045	1.156	0.000
Cl2	-0.045	-0.639	0.000
H3	0.536	1.386	0.815
H4	0.536	1.386	-0.815

	N1	Cl2	H3	H4
N1		1.7950	1.0271	1.0271
Cl2	1.7950		2.2586	2.2586
H3	1.0271	2.2586		1.6308
H4	1.0271	2.2586	1.6308

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	102.920		Cl2	N1	H4	102.920
H3	N1	H4	105.106

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: BLYP/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	-0.325
2	Cl	-0.131
3	H	0.228
4	H	0.228

	x	y	z	Total
	1.567	1.190	0.000	1.967
CHELPG
AIM
ESP

	x	y	z
x	3.428	0.080	0.000
y	0.080	5.183	0.000
z	0.000	0.000	3.461

<r²>	33.894
(<r²>)^1/2	5.822

All results from a given calculation for NH2Cl (chloramine)

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

States and conformations

All results from a given calculation for NH₂Cl (chloramine)