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	hartrees
Energy at 0K	-975.398738
Energy at 298.15K	-975.399140
HF Energy	-975.398738
Nuclear repulsion energy	137.778624

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'	3500	3500	32.38	60.92	0.17	0.29
2	A'	1016	1016	42.07	2.87	0.67	0.80
3	A'	643	643	1.60	19.49	0.08	0.15
4	A'	296	296	0.12	8.62	0.43	0.60
5	A"	1347	1347	0.36	1.86	0.75	0.86
6	A"	711	711	55.84	7.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.022	0.788	0.000
H2	-0.914	1.186	0.000
Cl3	0.022	-0.197	1.431
Cl4	0.022	-0.197	-1.431

	N1	H2	Cl3	Cl4
N1		1.0179	1.7368	1.7368
H2	1.0179		2.1993	2.1993
Cl3	1.7368	2.1993		2.8615
Cl4	1.7368	2.1993	2.8615

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.814		H2	N1	Cl4	102.814
Cl3	N1	Cl4	110.933

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.082
2	H	0.171
3	Cl	-0.045
4	Cl	-0.045

	x	y	z	Total
	-1.356	0.496	0.000	1.444
CHELPG
AIM
ESP

	x	y	z
x	3.321	-0.169	0.000
y	-0.169	4.112	0.000
z	0.000	0.000	7.294

<r²>	96.507
(<r²>)^1/2	9.824

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)