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	hartrees
Energy at 0K	-516.157589
Energy at 298.15K	-516.160208
HF Energy	-516.157589
Nuclear repulsion energy	50.910560

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'	3425	3301	3.48	105.35	0.09	0.16
2	A'	1602	1544	26.49	10.67	0.58	0.74
3	A'	1088	1048	65.19	2.17	0.68	0.81
4	A'	669	645	4.18	24.36	0.26	0.41
5	A"	3526	3398	6.08	53.42	0.75	0.86
6	A"	1171	1129	0.00	6.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.044	1.148	0.000
Cl2	-0.044	-0.635	0.000
H3	0.525	1.381	0.814
H4	0.525	1.381	-0.814

	N1	Cl2	H3	H4
N1		1.7829	1.0202	1.0202
Cl2	1.7829		2.2477	2.2477
H3	1.0202	2.2477		1.6283
H4	1.0202	2.2477	1.6283

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	103.226		Cl2	N1	H4	103.226
H3	N1	H4	105.880

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: TPSSh/TZVP

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	-0.394
2	Cl	-0.074
3	H	0.234
4	H	0.234

	x	y	z	Total
	1.861	1.219	0.000	2.224
CHELPG
AIM
ESP

	x	y	z
x	1.899	0.190	0.000
y	0.190	4.164	0.000
z	0.000	0.000	2.146

<r²>	33.348
(<r²>)^1/2	5.775

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for NH₂Cl (chloramine)