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	hartrees
Energy at 0K	-516.043698
Energy at 298.15K	-516.046337
HF Energy	-516.043698
Nuclear repulsion energy	51.666381

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'	3471	3337	5.13	90.55	0.09	0.16
2	A'	1600	1538	21.39	7.34	0.50	0.66
3	A'	1092	1050	63.82	2.46	0.75	0.86
4	A'	708	680	3.09	18.54	0.20	0.33
5	A"	3571	3433	12.24	49.02	0.75	0.86
6	A"	1201	1155	0.00	4.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.044	1.127	0.000
Cl2	-0.044	-0.624	0.000
H3	0.528	1.363	0.810
H4	0.528	1.363	-0.810

	N1	Cl2	H3	H4
N1		1.7508	1.0190	1.0190
Cl2	1.7508		2.2208	2.2208
H3	1.0190	2.2208		1.6193
H4	1.0190	2.2208	1.6193

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	103.420		Cl2	N1	H4	103.420
H3	N1	H4	105.227

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.058
3	H	0.296
4	H	0.296

	x	y	z	Total
	1.641	1.250	0.000	2.063
CHELPG
AIM
ESP

	x	y	z
x	2.262	0.238	0.000
y	0.238	4.044	0.000
z	0.000	0.000	2.535

<r²>	32.440
(<r²>)^1/2	5.696

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂Cl (chloramine)