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	hartrees
Energy at 0K	-513.556456
Energy at 298.15K	-513.559067
HF Energy	-513.556456
Nuclear repulsion energy	49.137736

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'	3361	3361	6.34	117.02	0.10	0.18
2	A'	1641	1641	23.59	16.73	0.43	0.61
3	A'	1077	1077	67.23	9.14	0.40	0.58
4	A'	654	654	10.87	32.88	0.24	0.39
5	A"	3493	3493	3.30	63.21	0.75	0.86
6	A"	1192	1192	0.26	8.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.199	0.000
Cl2	-0.043	-0.661	0.000
H3	0.518	1.423	0.834
H4	0.518	1.423	-0.834

	N1	Cl2	H3	H4
N1		1.8600	1.0303	1.0303
Cl2	1.8600		2.3143	2.3143
H3	1.0303	2.3143		1.6688
H4	1.0303	2.3143	1.6688

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	102.584		Cl2	N1	H4	102.584
H3	N1	H4	108.164

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: wB97X-D/3-21G

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	-0.654
2	Cl	-0.001
3	H	0.327
4	H	0.327

	x	y	z	Total
	2.274	1.508	0.000	2.728
CHELPG
AIM
ESP

	x	y	z
x	1.008	0.367	0.000
y	0.367	3.893	0.000
z	0.000	0.000	1.555

<r²>	34.985
(<r²>)^1/2	5.915

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for NH₂Cl (chloramine)