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	hartrees
Energy at 0K	-516.064054
Energy at 298.15K	-516.066617
HF Energy	-516.064054
Nuclear repulsion energy	48.737455

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'	3394	3265	7.62	129.30	0.09	0.17
2	A'	1595	1535	21.62	18.63	0.43	0.60
3	A'	1036	997	72.95	10.16	0.42	0.59
4	A'	593	570	8.36	35.33	0.23	0.37
5	A"	3546	3411	3.18	63.01	0.75	0.86
6	A"	1149	1105	0.00	9.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.042	1.211	0.000
Cl2	-0.042	-0.669	0.000
H3	0.500	1.448	0.838
H4	0.500	1.448	-0.838

	N1	Cl2	H3	H4
N1		1.8793	1.0256	1.0256
Cl2	1.8793		2.3398	2.3398
H3	1.0256	2.3398		1.6759
H4	1.0256	2.3398	1.6759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	103.367		Cl2	N1	H4	103.367
H3	N1	H4	109.577

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B3LYP/6-31G

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	-0.674
2	Cl	0.029
3	H	0.323
4	H	0.323

	x	y	z	Total
	2.254	1.407	0.000	2.658
CHELPG
AIM
ESP

	x	y	z
x	1.204	0.333	0.000
y	0.333	4.252	0.000
z	0.000	0.000	1.767

<r²>	35.527
(<r²>)^1/2	5.960

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for NH₂Cl (chloramine)