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	hartrees
Energy at 0K	-973.983505
Energy at 298.15K	-973.984050
HF Energy	-973.983505
Nuclear repulsion energy	139.741037

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'	3770	3426	50.65	55.03	0.18	0.31
2	A'	1058	961	50.54	1.48	0.46	0.63
3	A'	712	647	4.77	33.75	0.13	0.24
4	A'	330	300	0.12	5.39	0.37	0.54
5	A"	1505	1367	0.25	0.43	0.75	0.86
6	A"	866	787	25.57	11.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.021	0.765	0.000
H2	-0.862	1.233	0.000
Cl3	0.021	-0.194	1.414
Cl4	0.021	-0.194	-1.414

	N1	H2	Cl3	Cl4
N1		0.9992	1.7079	1.7079
H2	0.9992		2.1936	2.1936
Cl3	1.7079	2.1936		2.8275
Cl4	1.7079	2.1936	2.8275

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	105.235		H2	N1	Cl4	105.235
Cl3	N1	Cl4	111.742

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.036
2	H	0.177
3	Cl	-0.070
4	Cl	-0.070

	x	y	z	Total
	-1.288	0.606	0.000	1.424
CHELPG
AIM
ESP

	x	y	z
x	4.283	-0.105	0.000
y	-0.105	4.840	0.000
z	0.000	0.000	7.590

<r²>	94.850
(<r²>)^1/2	9.739

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)