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	hartrees
Energy at 0K	-975.755084
Energy at 298.15K	-975.755437
HF Energy	-975.755084
Nuclear repulsion energy	136.071685

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'	3460	3346	34.25	60.86	0.16	0.28
2	A'	1022	988	38.74	1.92	0.43	0.60
3	A'	615	595	0.93	21.41	0.09	0.17
4	A'	288	278	0.07	8.97	0.35	0.51
5	A"	1340	1296	0.48	1.11	0.75	0.86
6	A"	653	632	64.65	6.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.799	0.000
H2	-0.923	1.181	0.000
Cl3	0.023	-0.199	1.449
Cl4	0.023	-0.199	-1.449

	N1	H2	Cl3	Cl4
N1		1.0199	1.7600	1.7600
H2	1.0199		2.2135	2.2135
Cl3	1.7600	2.2135		2.8990
Cl4	1.7600	2.2135	2.8990

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.250		H2	N1	Cl4	102.250
Cl3	N1	Cl4	110.884

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.111
2	H	0.235
3	Cl	-0.062
4	Cl	-0.062

	x	y	z	Total
	-1.271	0.511	0.000	1.369
CHELPG
AIM
ESP

	x	y	z
x	4.642	-0.097	0.000
y	-0.097	5.245	0.000
z	0.000	0.000	8.538

<r²>	98.844
(<r²>)^1/2	9.942

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)