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	hartrees
Energy at 0K	-975.348258
Energy at 298.15K
HF Energy	-975.148939
Nuclear repulsion energy	136.360814

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'	3481	3481	28.99	60.87	0.20	0.34
2	A'	1042	1042	41.20	3.44	0.71	0.83
3	A'	627	627	0.66	20.64	0.09	0.16
4	A'	290	290	0.07	8.23	0.39	0.57
5	A"	1341	1341	0.47	1.75	0.75	0.86
6	A"	688	688	57.81	7.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.806	0.000
H2	-0.930	1.173	0.000
Cl3	0.023	-0.201	1.443
Cl4	0.023	-0.201	-1.443

	N1	H2	Cl3	Cl4
N1		1.0210	1.7594	1.7594
H2	1.0210		2.2082	2.2082
Cl3	1.7594	2.2082		2.8855
Cl4	1.7594	2.2082	2.8855

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	101.859		H2	N1	Cl4	101.859
Cl3	N1	Cl4	110.179

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)