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	hartrees
Energy at 0K	-975.610815
Energy at 298.15K	-975.611240
HF Energy	-975.610815
Nuclear repulsion energy	136.469967

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'	3526	3358	33.59	62.36	0.19	0.32
2	A'	1034	985	50.47	3.13	0.42	0.59
3	A'	654	623	1.23	23.84	0.12	0.21
4	A'	302	288	0.09	9.50	0.45	0.62
5	A"	1377	1311	0.01	5.19	0.75	0.86
6	A"	731	696	68.33	11.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.022	0.794	0.000
H2	-0.914	1.202	0.000
Cl3	0.022	-0.199	1.445
Cl4	0.022	-0.199	-1.445

	N1	H2	Cl3	Cl4
N1		1.0217	1.7533	1.7533
H2	1.0217		2.2200	2.2200
Cl3	1.7533	2.2200		2.8906
Cl4	1.7533	2.2200	2.8906

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	103.077		H2	N1	Cl4	103.077
Cl3	N1	Cl4	111.041

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: wB97X-D/6-31+G**

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	-0.472
2	H	0.375
3	Cl	0.049
4	Cl	0.049

	x	y	z	Total
	-1.547	0.494	0.000	1.624
CHELPG
AIM
ESP

	x	y	z
x	3.303	-0.113	0.000
y	-0.113	4.019	0.000
z	0.000	0.000	7.036

<r²>	98.283
(<r²>)^1/2	9.914

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)