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	hartrees
Energy at 0K	-975.456571
Energy at 298.15K	-975.456947
HF Energy	-975.235994
Nuclear repulsion energy	136.157555

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'	3475	3321	28.93	57.99	0.19	0.31
2	A'	1033	987	40.28	3.21	0.75	0.86
3	A'	624	597	0.62	21.60	0.07	0.14
4	A'	287	275	0.08	8.58	0.41	0.58
5	A"	1336	1276	0.44	1.56	0.75	0.86
6	A"	683	653	56.76	7.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.807	0.000
H2	-0.928	1.172	0.000
Cl3	0.023	-0.201	1.445
Cl4	0.023	-0.201	-1.445

	N1	H2	Cl3	Cl4
N1		1.0182	1.7622	1.7622
H2	1.0182		2.2085	2.2085
Cl3	1.7622	2.2085		2.8908
Cl4	1.7622	2.2085	2.8908

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	101.825		H2	N1	Cl4	101.825
Cl3	N1	Cl4	110.214

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)