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	hartrees
Energy at 0K	-514.736209
Energy at 298.15K	-514.738831
HF Energy	-514.736209
Nuclear repulsion energy	51.880047

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'	3371	3338	6.76	104.75	0.08	0.14
2	A'	1525	1510	23.16	7.37	0.48	0.65
3	A'	1018	1009	67.51	2.57	0.74	0.85
4	A'	706	699	5.86	15.23	0.15	0.26
5	A"	3474	3440	19.11	46.19	0.75	0.86
6	A"	1150	1139	0.00	3.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.044	1.117	0.000
Cl2	-0.044	-0.621	0.000
H3	0.522	1.367	0.819
H4	0.522	1.367	-0.819

	N1	Cl2	H3	H4
N1		1.7375	1.0261	1.0261
Cl2	1.7375		2.2227	2.2227
H3	1.0261	2.2227		1.6374
H4	1.0261	2.2227	1.6374

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.095		Cl2	N1	H4	104.095
H3	N1	H4	105.850

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: SVWN/cc-pVTZ

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	-0.265
2	Cl	-0.059
3	H	0.162
4	H	0.162

	x	y	z	Total
	1.651	1.171	0.000	2.024
CHELPG
AIM
ESP

	x	y	z
x	2.395	0.204	0.000
y	0.204	4.279	0.000
z	0.000	0.000	2.605

<r²>	32.479
(<r²>)^1/2	5.699

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)