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	hartrees
Energy at 0K	-513.665574
Energy at 298.15K	-513.668128
HF Energy	-513.665574
Nuclear repulsion energy	48.959020

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'	3083	3063	8.01	119.79	0.09	0.17
2	A'	1585	1575	9.28	23.22	0.36	0.53
3	A'	1095	1088	40.48	10.16	0.64	0.78
4	A'	565	562	7.05	22.32	0.21	0.34
5	A"	3204	3184	1.71	65.63	0.75	0.86
6	A"	1149	1141	0.14	9.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.047	1.202	0.000
Cl2	-0.047	-0.660	0.000
H3	0.562	1.407	0.832
H4	0.562	1.407	-0.832

	N1	Cl2	H3	H4
N1		1.8625	1.0518	1.0518
Cl2	1.8625		2.3106	2.3106
H3	1.0518	2.3106		1.6650
H4	1.0518	2.3106	1.6650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	101.244		Cl2	N1	H4	101.244
H3	N1	H4	104.647

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: BLYP/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	-0.535
2	Cl	-0.038
3	H	0.287
4	H	0.287

	x	y	z	Total
	2.076	1.298	0.000	2.448
CHELPG
AIM
ESP

	x	y	z
x	1.513	0.380	0.000
y	0.380	3.906	0.000
z	0.000	0.000	2.009

<r²>	35.011
(<r²>)^1/2	5.917

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for NH₂Cl (chloramine)