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	hartrees
Energy at 0K	-970.906869
Energy at 298.15K	-970.907017
HF Energy	-970.906869
Nuclear repulsion energy	124.315370

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'	2997	2980	6.51	95.29	0.25	0.40
2	A'	1031	1025	39.04	11.40	0.73	0.84
3	A'	559	556	7.04	20.01	0.11	0.20
4	A'	218	217	0.14	16.23	0.48	0.65
5	A"	1201	1194	1.94	4.58	0.75	0.86
6	A"	544	541	132.47	7.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.025	0.919	0.000
H2	-1.017	1.150	0.000
Cl3	0.025	-0.223	1.577
Cl4	0.025	-0.223	-1.577

	N1	H2	Cl3	Cl4
N1		1.0671	1.9475	1.9475
H2	1.0671		2.3366	2.3366
Cl3	1.9475	2.3366		3.1549
Cl4	1.9475	2.3366	3.1549

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	97.301		H2	N1	Cl4	97.301
Cl3	N1	Cl4	108.189

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: BLYP/3-21G

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	-0.367
2	H	0.326
3	Cl	0.021
4	Cl	0.021

	x	y	z	Total
	-1.809	0.743	0.000	1.955
CHELPG
AIM
ESP

	x	y	z
x	1.794	-0.376	0.000
y	-0.376	2.960	0.000
z	0.000	0.000	7.986

<r²>	114.111
(<r²>)^1/2	10.682

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)