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	hartrees
Energy at 0K	-975.716439
Energy at 298.15K	-975.716662
HF Energy	-975.716439
Nuclear repulsion energy	133.059436

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'	3313	3295	24.65	61.65	0.17	0.29
2	A'	1012	1006	34.41	2.33	0.34	0.51
3	A'	574	570	0.19	19.54	0.08	0.15
4	A'	262	261	0.05	12.49	0.33	0.50
5	A"	1270	1263	1.52	1.51	0.75	0.86
6	A"	542	539	98.11	4.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.822	0.000
H2	-0.955	1.150	0.000
Cl3	0.023	-0.203	1.483
Cl4	0.023	-0.203	-1.483

	N1	H2	Cl3	Cl4
N1		1.0315	1.8029	1.8029
H2	1.0315		2.2332	2.2332
Cl3	1.8029	2.2332		2.9664
Cl4	1.8029	2.2332	2.9664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	100.420		H2	N1	Cl4	100.420
Cl3	N1	Cl4	110.710

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: BLYP/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	-0.107
2	H	0.247
3	Cl	-0.070
4	Cl	-0.070

All results from a given calculation for NHCl2 (dichloroamine)

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

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)