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	hartrees
Energy at 0K	-975.370187
Energy at 298.15K	-975.370574
HF Energy	-975.370187
Nuclear repulsion energy	136.117532

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'	3503	3361	21.21	61.30	0.22	0.36
2	A'	1055	1013	48.55	5.44	0.74	0.85
3	A'	629	604	0.90	25.27	0.09	0.17
4	A'	297	285	0.03	11.56	0.46	0.63
5	A"	1407	1350	0.02	4.57	0.75	0.86
6	A"	677	649	87.97	10.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.022	0.795	0.000
H2	-0.914	1.196	0.000
Cl3	0.022	-0.199	1.450
Cl4	0.022	-0.199	-1.450

	N1	H2	Cl3	Cl4
N1		1.0187	1.7580	1.7580
H2	1.0187		2.2192	2.2192
Cl3	1.7580	2.2192		2.9000
Cl4	1.7580	2.2192	2.9000

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.846		H2	N1	Cl4	102.846
Cl3	N1	Cl4	111.131

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: HSEh1PBE/6-311G*

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	-0.574
2	H	0.400
3	Cl	0.087
4	Cl	0.087

	x	y	z	Total
	-1.696	0.483	0.000	1.763
CHELPG
AIM
ESP

	x	y	z
x	2.254	-0.258	0.000
y	-0.258	3.216	0.000
z	0.000	0.000	6.720

<r²>	98.981
(<r²>)^1/2	9.949

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)