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	hartrees
Energy at 0K	-970.827160
Energy at 298.15K	-970.827464
HF Energy	-970.827160
Nuclear repulsion energy	133.802312

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'	3282	3150	16.37	93.03	0.20	0.33
2	A'	1039	997	50.10	7.74	0.75	0.85
3	A'	564	541	0.75	29.71	0.09	0.16
4	A'	283	272	0.08	11.49	0.43	0.60
5	A"	1366	1311	0.14	4.38	0.75	0.86
6	A"	639	613	94.40	12.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.822	0.000
H2	-0.938	1.219	0.000
Cl3	0.023	-0.205	1.469
Cl4	0.023	-0.205	-1.469

	N1	H2	Cl3	Cl4
N1		1.0398	1.7930	1.7930
H2	1.0398		2.2609	2.2609
Cl3	1.7930	2.2609		2.9388
Cl4	1.7930	2.2609	2.9388

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.641		H2	N1	Cl4	102.641
Cl3	N1	Cl4	110.077

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: HSEh1PBE/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	-0.503
2	H	0.362
3	Cl	0.071
4	Cl	0.071

	x	y	z	Total
	-1.802	0.443	0.000	1.855
CHELPG
AIM
ESP

	x	y	z
x	2.246	-0.350	0.000
y	-0.350	3.064	0.000
z	0.000	0.000	6.559

<r²>	101.128
(<r²>)^1/2	10.056

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)