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	hartrees
Energy at 0K	-516.039786
Energy at 298.15K	-516.042437
HF Energy	-516.039786
Nuclear repulsion energy	51.622442

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'	3483	3298	5.23	105.29	0.10	0.18
2	A'	1658	1570	26.76	11.65	0.54	0.70
3	A'	1119	1060	79.02	4.38	0.64	0.78
4	A'	729	690	4.35	25.68	0.24	0.39
5	A"	3588	3398	10.88	61.14	0.75	0.86
6	A"	1235	1170	0.00	7.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.125	0.000
Cl2	-0.043	-0.625	0.000
H3	0.517	1.377	0.815
H4	0.517	1.377	-0.815

	N1	Cl2	H3	H4
N1		1.7502	1.0202	1.0202
Cl2	1.7502		2.2333	2.2333
H3	1.0202	2.2333		1.6292
H4	1.0202	2.2333	1.6292

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.323		Cl2	N1	H4	104.323
H3	N1	H4	105.967

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: M06-2X/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	-0.769
2	Cl	0.049
3	H	0.360
4	H	0.360

	x	y	z	Total
	1.921	1.181	0.000	2.255
CHELPG
AIM
ESP

	x	y	z
x	1.662	0.277	0.000
y	0.277	3.695	0.000
z	0.000	0.000	2.051

<r²>	32.651
(<r²>)^1/2	5.714

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for NH₂Cl (chloramine)