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	hartrees
Energy at 0K	-515.102884
Energy at 298.15K	-515.105569
HF Energy	-515.102884
Nuclear repulsion energy	52.614252

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'	3729	3388	8.39	91.43	0.08	0.14
2	A'	1740	1581	22.45	1.73	0.73	0.85
3	A'	1120	1017	82.09	0.71	0.20	0.33
4	A'	786	714	5.49	30.63	0.23	0.37
5	A"	3821	3472	29.20	42.01	0.75	0.86
6	A"	1301	1182	0.03	1.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.040	1.100	0.000
Cl2	-0.040	-0.615	0.000
H3	0.481	1.376	0.807
H4	0.481	1.376	-0.807

	N1	Cl2	H3	H4
N1		1.7144	0.9991	0.9991
Cl2	1.7144		2.2104	2.2104
H3	0.9991	2.2104		1.6132
H4	0.9991	2.2104	1.6132

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	106.074		Cl2	N1	H4	106.074
H3	N1	H4	107.662

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: HF/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	-0.219
2	Cl	-0.135
3	H	0.177
4	H	0.177

	x	y	z	Total
	1.578	1.309	0.000	2.050
CHELPG
AIM
ESP

	x	y	z
x	2.980	0.100	0.000
y	0.100	4.644	0.000
z	0.000	0.000	3.073

<r²>	32.069
(<r²>)^1/2	5.663

All results from a given calculation for NH2Cl (chloramine)

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

States and conformations

All results from a given calculation for NH₂Cl (chloramine)