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	hartrees
Energy at 0K	-516.093144
Energy at 298.15K	-516.095725
HF Energy	-516.093144
Nuclear repulsion energy	49.828112

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'	3254	3259	1.64	112.07	0.09	0.16
2	A'	1536	1539	16.75	11.38	0.46	0.63
3	A'	1088	1090	36.08	4.38	0.74	0.85
4	A'	611	612	3.81	19.99	0.23	0.37
5	A"	3349	3354	0.58	61.08	0.75	0.86
6	A"	1126	1127	0.03	5.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.048	1.181	0.000
Cl2	-0.048	-0.648	0.000
H3	0.571	1.376	0.812
H4	0.571	1.376	-0.812

	N1	Cl2	H3	H4
N1		1.8286	1.0393	1.0393
Cl2	1.8286		2.2671	2.2671
H3	1.0393	2.2671		1.6243
H4	1.0393	2.2671	1.6243

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	100.855		Cl2	N1	H4	100.855
H3	N1	H4	102.778

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: BLYP/cc-pVDZ

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	-0.179
2	Cl	-0.065
3	H	0.122
4	H	0.122

	x	y	z	Total
	1.720	1.149	0.000	2.068
CHELPG
AIM
ESP

	x	y	z
x	1.779	0.310	0.000
y	0.310	4.034	0.000
z	0.000	0.000	2.084

<r²>	34.090
(<r²>)^1/2	5.839

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)