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	hartrees
Energy at 0K	-975.521726
Energy at 298.15K
HF Energy	-975.223952
Nuclear repulsion energy	136.614190

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'	3474	3474	29.62	61.02	0.18	0.30
2	A'	1027	1027	40.62	2.86	0.71	0.83
3	A'	622	622	0.81	19.86	0.08	0.15
4	A'	289	289	0.09	8.94	0.42	0.59
5	A"	1338	1338	0.48	1.81	0.75	0.86
6	A"	685	685	52.13	8.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.801	0.000
H2	-0.924	1.178	0.000
Cl3	0.023	-0.200	1.441
Cl4	0.023	-0.200	-1.441

	N1	H2	Cl3	Cl4
N1		1.0181	1.7549	1.7549
H2	1.0181		2.2067	2.2067
Cl3	1.7549	2.2067		2.8826
Cl4	1.7549	2.2067	2.8826

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.171		H2	N1	Cl4	102.171
Cl3	N1	Cl4	110.431

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)