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	hartrees
Energy at 0K	-970.896882
Energy at 298.15K	-970.897216
HF Energy	-970.896882
Nuclear repulsion energy	129.466316

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'	3300	3300	16.80	100.64	0.21	0.35
2	A'	1069	1069	47.36	9.56	0.72	0.84
3	A'	604	604	5.64	31.64	0.10	0.18
4	A'	265	265	0.20	11.80	0.51	0.68
5	A"	1330	1330	0.07	4.22	0.75	0.86
6	A"	682	682	86.15	16.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.024	0.881	0.000
H2	-0.964	1.211	0.000
Cl3	0.024	-0.217	1.510
Cl4	0.024	-0.217	-1.510

	N1	H2	Cl3	Cl4
N1		1.0414	1.8672	1.8672
H2	1.0414		2.3012	2.3012
Cl3	1.8672	2.3012		3.0199
Cl4	1.8672	2.3012	3.0199

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	100.736		H2	N1	Cl4	100.736
Cl3	N1	Cl4	107.927

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: wB97X-D/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	-0.513
2	H	0.366
3	Cl	0.074
4	Cl	0.074

	x	y	z	Total
	-1.994	0.636	0.000	2.093
CHELPG
AIM
ESP

	x	y	z
x	1.614	-0.381	0.000
y	-0.381	2.852	0.000
z	0.000	0.000	6.895

<r²>	106.478
(<r²>)^1/2	10.319

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)