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	hartrees
Energy at 0K	-975.786792
Energy at 298.15K	-975.787171
HF Energy	-975.786792
Nuclear repulsion energy	136.283811

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'	3504	3364	29.81	59.45	0.21	0.34
2	A'	1019	979	44.35	5.07	0.74	0.85
3	A'	628	603	0.83	25.01	0.09	0.17
4	A'	294	282	0.05	11.26	0.46	0.63
5	A"	1345	1291	0.09	3.71	0.75	0.86
6	A"	677	650	85.83	10.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.022	0.795	0.000
H2	-0.922	1.175	0.000
Cl3	0.022	-0.198	1.449
Cl4	0.022	-0.198	-1.449

	N1	H2	Cl3	Cl4
N1		1.0179	1.7563	1.7563
H2	1.0179		2.2080	2.2080
Cl3	1.7563	2.2080		2.8972
Cl4	1.7563	2.2080	2.8972

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.188		H2	N1	Cl4	102.188
Cl3	N1	Cl4	111.142

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: B1B95/6-311G**

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	-0.450
2	H	0.295
3	Cl	0.077
4	Cl	0.077

	x	y	z	Total
	-1.639	0.459	0.000	1.702
CHELPG
AIM
ESP

	x	y	z
x	2.294	-0.253	0.000
y	-0.253	3.234	0.000
z	0.000	0.000	6.730

<r²>	98.710
(<r²>)^1/2	9.935

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)