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	hartrees
Energy at 0K	-516.158079
Energy at 298.15K	-516.160723
HF Energy	-516.158079
Nuclear repulsion energy	51.576513

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'	3500	3355	1.89	94.95	0.10	0.19
2	A'	1684	1614	29.64	9.62	0.62	0.77
3	A'	1124	1078	87.63	2.93	0.73	0.85
4	A'	699	670	5.23	24.14	0.25	0.39
5	A"	3600	3451	5.73	53.78	0.75	0.86
6	A"	1243	1191	1.13	6.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.128	0.000
Cl2	-0.043	-0.627	0.000
H3	0.512	1.380	0.811
H4	0.512	1.380	-0.811

	N1	Cl2	H3	H4
N1		1.7545	1.0143	1.0143
Cl2	1.7545		2.2339	2.2339
H3	1.0143	2.2339		1.6217
H4	1.0143	2.2339	1.6217

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.370		Cl2	N1	H4	104.370
H3	N1	H4	106.145

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B1B95/6-311G*

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	-0.756
2	Cl	0.020
3	H	0.368
4	H	0.368

	x	y	z	Total
	1.946	1.283	0.000	2.331
CHELPG
AIM
ESP

	x	y	z
x	1.593	0.234	0.000
y	0.234	3.846	0.000
z	0.000	0.000	1.920

<r²>	32.866
(<r²>)^1/2	5.733

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for NH₂Cl (chloramine)