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	hartrees
Energy at 0K	-975.714222
Energy at 298.15K	-975.714435
HF Energy	-975.714222
Nuclear repulsion energy	132.845672

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'	3312	3312	19.22	63.77	0.18	0.30
2	A'	1007	1007	35.07	3.41	0.67	0.80
3	A'	572	572	0.27	18.69	0.07	0.14
4	A'	259	259	0.07	13.69	0.39	0.56
5	A"	1261	1261	1.52	2.20	0.75	0.86
6	A"	540	540	98.89	6.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.823	0.000
H2	-0.955	1.147	0.000
Cl3	0.023	-0.203	1.486
Cl4	0.023	-0.203	-1.486

	N1	H2	Cl3	Cl4
N1		1.0309	1.8059	1.8059
H2	1.0309		2.2336	2.2336
Cl3	1.8059	2.2336		2.9721
Cl4	1.8059	2.2336	2.9721

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	100.286		H2	N1	Cl4	100.286
Cl3	N1	Cl4	110.750

All results from a given calculation for NHCl₂ (dichloroamine)

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	-0.084
2	H	0.165
3	Cl	-0.041
4	Cl	-0.041

	x	y	z	Total
	-1.344	0.458	0.000	1.419
CHELPG
AIM
ESP

	x	y	z
x	3.453	-0.183	0.000
y	-0.183	4.323	0.000
z	0.000	0.000	8.238

<r²>	102.670
(<r²>)^1/2	10.133

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)