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	hartrees
Energy at 0K	-975.625993
Energy at 298.15K	-975.626188
HF Energy	-975.625993
Nuclear repulsion energy	131.232420

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'	3293	3275	19.06	65.49	0.21	0.34
2	A'	1013	1008	39.89	4.43	0.24	0.39
3	A'	570	566	0.83	21.04	0.10	0.18
4	A'	257	255	0.04	16.56	0.41	0.58
5	A"	1255	1248	0.51	5.79	0.75	0.86
6	A"	527	524	134.83	8.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.830	0.000
H2	-0.963	1.154	0.000
Cl3	0.023	-0.205	1.506
Cl4	0.023	-0.205	-1.506

	N1	H2	Cl3	Cl4
N1		1.0379	1.8275	1.8275
H2	1.0379		2.2556	2.2556
Cl3	1.8275	2.2556		3.0122
Cl4	1.8275	2.2556	3.0122

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	100.187		H2	N1	Cl4	100.187
Cl3	N1	Cl4	110.997

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: BLYP/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	-0.440
2	H	0.353
3	Cl	0.044
4	Cl	0.044

	x	y	z	Total
	-1.518	0.483	0.000	1.593
CHELPG
AIM
ESP

	x	y	z
x	3.636	-0.105	0.000
y	-0.105	4.461	0.000
z	0.000	0.000	8.532

<r²>	105.233
(<r²>)^1/2	10.258

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)