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	hartrees
Energy at 0K	-516.136060
Energy at 298.15K	-516.138644
HF Energy	-516.136060
Nuclear repulsion energy	50.539537

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'	3324	3324	3.10	111.91	0.08	0.14
2	A'	1549	1549	19.21	8.44	0.48	0.65
3	A'	1063	1063	52.13	2.14	0.71	0.83
4	A'	619	619	1.79	19.36	0.21	0.34
5	A"	3417	3417	6.10	51.37	0.75	0.86
6	A"	1142	1142	0.00	3.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.045	1.158	0.000
Cl2	-0.045	-0.640	0.000
H3	0.537	1.384	0.815
H4	0.537	1.384	-0.815

	N1	Cl2	H3	H4
N1		1.7976	1.0266	1.0266
Cl2	1.7976		2.2581	2.2581
H3	1.0266	2.2581		1.6296
H4	1.0266	2.2581	1.6296

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	102.737		Cl2	N1	H4	102.737
H3	N1	H4	105.063

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: BLYP/Def2TZVPP

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	-0.208
2	Cl	-0.090
3	H	0.149
4	H	0.149

	x	y	z	Total
	1.634	1.142	0.000	1.994
CHELPG
AIM
ESP

	x	y	z
x	2.515	0.194	0.000
y	0.194	4.648	0.000
z	0.000	0.000	2.690

<r²>	33.740
(<r²>)^1/2	5.809

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for NH₂Cl (chloramine)