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	hartrees
Energy at 0K	-975.537866
Energy at 298.15K	-975.538237
HF Energy	-975.537866
Nuclear repulsion energy	135.743647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3340	30.35
2	A'	1031	990	48.25
3	A'	631	606	0.91
4	A'	291	280	0.10
5	A"	1351	1297	0.07
6	A"	672	645	87.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.796	0.000
H2	-0.924	1.188	0.000
Cl3	0.023	-0.199	1.455
Cl4	0.023	-0.199	-1.455

	N1	H2	Cl3	Cl4
N1		1.0238	1.7625	1.7625
H2	1.0238		2.2211	2.2211
Cl3	1.7625	2.2211		2.9093
Cl4	1.7625	2.2211	2.9093

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.463		H2	N1	Cl4	102.463
Cl3	N1	Cl4	111.246

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: B3PW91/6-31+G**

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	-0.463
2	H	0.375
3	Cl	0.044
4	Cl	0.044

	x	y	z	Total
	-1.538	0.491	0.000	1.615
CHELPG
AIM
ESP

	x	y	z
x	3.317	-0.112	0.000
y	-0.112	4.049	0.000
z	0.000	0.000	7.299

<r²>	99.246
(<r²>)^1/2	9.962

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)