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	hartrees
Energy at 0K	-515.791518
Energy at 298.15K	-515.794083
HF Energy	-515.736462
Nuclear repulsion energy	48.760221

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'	3429	3429	5.88	124.78	0.10	0.18
2	A'	1617	1617	24.81	17.44	0.45	0.62
3	A'	1049	1049	79.75	9.30	0.40	0.57
4	A'	590	590	7.96	35.08	0.23	0.37
5	A"	3579	3579	4.74	62.66	0.75	0.86
6	A"	1154	1154	0.00	9.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.041	1.210	0.000
Cl2	-0.041	-0.669	0.000
H3	0.493	1.452	0.839
H4	0.493	1.452	-0.839

	N1	Cl2	H3	H4
N1		1.8785	1.0232	1.0232
Cl2	1.8785		2.3419	2.3419
H3	1.0232	2.3419		1.6777
H4	1.0232	2.3419	1.6777

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	103.672		Cl2	N1	H4	103.672
H3	N1	H4	110.129

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B2PLYP/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	-0.686
2	Cl	0.035
3	H	0.326
4	H	0.326

	x	y	z	Total
	2.252	1.370	0.000	2.636
CHELPG
AIM
ESP

	x	y	z
x	1.175	0.330	0.001
y	0.330	4.268	0.001
z	0.001	0.001	1.747

<r²>	35.612
(<r²>)^1/2	5.968

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for NH₂Cl (chloramine)