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	hartrees
Energy at 0K	-516.131305
Energy at 298.15K	-516.133922
HF Energy	-516.131305
Nuclear repulsion energy	50.740384

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'	3403	3301	2.54	106.11	0.09	0.16
2	A'	1582	1535	19.98	9.47	0.50	0.66
3	A'	1098	1065	47.39	3.56	0.68	0.81
4	A'	665	645	4.23	23.00	0.23	0.38
5	A"	3498	3393	5.16	58.76	0.75	0.86
6	A"	1174	1138	0.03	5.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.046	1.153	0.000
Cl2	-0.046	-0.636	0.000
H3	0.548	1.372	0.810
H4	0.548	1.372	-0.810

	N1	Cl2	H3	H4
N1		1.7894	1.0278	1.0278
Cl2	1.7894		2.2449	2.2449
H3	1.0278	2.2449		1.6204
H4	1.0278	2.2449	1.6204

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	102.262		Cl2	N1	H4	102.262
H3	N1	H4	104.056

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B3LYP/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	-0.207
2	Cl	-0.055
3	H	0.131
4	H	0.131

	x	y	z	Total
	1.749	1.160	0.000	2.099
CHELPG
AIM
ESP

	x	y	z
x	1.702	0.292	0.000
y	0.292	3.903	0.000
z	0.000	0.000	2.013

<r²>	33.263
(<r²>)^1/2	5.767

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)