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	hartrees
Energy at 0K	-513.595950
Energy at 298.15K	-513.598545
HF Energy	-513.595950
Nuclear repulsion energy	48.243959

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'	3213	3113	5.99	125.51	0.10	0.18
2	A'	1619	1569	16.47	22.47	0.38	0.55
3	A'	1134	1099	42.24	9.40	0.56	0.72
4	A'	618	599	11.31	26.40	0.26	0.41
5	A"	3336	3232	0.05	69.82	0.75	0.86
6	A"	1155	1119	0.23	9.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.046	1.230	0.000
Cl2	-0.046	-0.673	0.000
H3	0.556	1.414	0.831
H4	0.556	1.414	-0.831

	N1	Cl2	H3	H4
N1		1.9032	1.0430	1.0430
Cl2	1.9032		2.3262	2.3262
H3	1.0430	2.3262		1.6619
H4	1.0430	2.3262	1.6619

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	100.172		Cl2	N1	H4	100.172
H3	N1	H4	105.631

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: TPSSh/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	-0.590
2	Cl	-0.036
3	H	0.313
4	H	0.313

	x	y	z	Total
	2.252	1.547	0.000	2.732
CHELPG
AIM
ESP

	x	y	z
x	1.120	0.391	0.000
y	0.391	4.103	0.000
z	0.000	0.000	1.641

<r²>	35.882
(<r²>)^1/2	5.990

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: TPSSh/3-21G

States and conformations

All results from a given calculation for NH₂Cl (chloramine)