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	hartrees
Energy at 0K	-975.373414
Energy at 298.15K	-975.373797
HF Energy	-975.373414
Nuclear repulsion energy	136.088775

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'	3496	3358	30.08	59.09	0.21	0.34
2	A'	1020	980	44.51	5.05	0.74	0.85
3	A'	629	604	0.82	24.54	0.09	0.17
4	A'	297	285	0.04	11.60	0.45	0.62
5	A"	1346	1293	0.05	3.76	0.75	0.86
6	A"	676	649	87.82	10.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.795	0.000
H2	-0.923	1.177	0.000
Cl3	0.023	-0.198	1.451
Cl4	0.023	-0.198	-1.451

	N1	H2	Cl3	Cl4
N1		1.0198	1.7583	1.7583
H2	1.0198		2.2116	2.2116
Cl3	1.7583	2.2116		2.9024
Cl4	1.7583	2.2116	2.9024

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.231		H2	N1	Cl4	102.231
Cl3	N1	Cl4	111.248

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	-0.447
2	H	0.293
3	Cl	0.077
4	Cl	0.077

	x	y	z	Total
	-1.647	0.463	0.000	1.711
CHELPG
AIM
ESP

	x	y	z
x	2.292	-0.251	0.000
y	-0.251	3.234	0.000
z	0.000	0.000	6.753

<r²>	99.044
(<r²>)^1/2	9.952

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)