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	hartrees
Energy at 0K	-40.222418
Energy at 298.15K	-40.222752
HF Energy	-40.222418
Nuclear repulsion energy	34.285746

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'	3395	3395	14.45	98.59	0.18	0.30
2	A'	1018	1018	38.49	8.45	0.73	0.85
3	A'	592	592	2.00	41.38	0.09	0.17
4	A'	270	270	0.15	14.82	0.48	0.65
5	A"	1347	1347	1.85	6.41	0.75	0.86
6	A"	676	676	87.20	20.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.846	0.000
H2	-0.933	1.242	0.000
Cl3	0.023	-0.211	1.521
Cl4	0.023	-0.211	-1.521

	N1	H2	Cl3	Cl4
N1		1.0340	1.8523	1.8523
H2	1.0340		2.3101	2.3101
Cl3	1.8523	2.3101		3.0427
Cl4	1.8523	2.3101	3.0427

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.610		H2	N1	Cl4	102.610
Cl3	N1	Cl4	110.434

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: wB97X-D/CEP-121G

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	-0.588
2	H	0.329
3	Cl	0.129
4	Cl	0.129

	x	y	z	Total
	-2.005	0.549	0.000	2.079
CHELPG
AIM
ESP

	x	y	z
x	2.039	-0.311	0.000
y	-0.311	3.369	0.000
z	0.000	0.000	7.641

<r²>	57.645
(<r²>)^1/2	7.592

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)