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	hartrees
Energy at 0K	-973.180124
Energy at 298.15K	-973.180483
HF Energy	-973.180124
Nuclear repulsion energy	138.145627

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'	3357	3357	40.82	66.28	0.16	0.27
2	A'	984	984	39.83	2.53	0.30	0.46
3	A'	627	627	3.10	16.62	0.09	0.16
4	A'	289	289	0.09	8.93	0.36	0.53
5	A"	1281	1281	1.60	1.81	0.75	0.86
6	A"	669	669	70.58	2.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.786	0.000
H2	-0.930	1.179	0.000
Cl3	0.023	-0.196	1.426
Cl4	0.023	-0.196	-1.426

	N1	H2	Cl3	Cl4
N1		1.0311	1.7314	1.7314
H2	1.0311		2.1987	2.1987
Cl3	1.7314	2.1987		2.8517
Cl4	1.7314	2.1987	2.8517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.512		H2	N1	Cl4	102.512
Cl3	N1	Cl4	110.880

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: SVWN/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	-0.224
2	H	0.257
3	Cl	-0.016
4	Cl	-0.016

	x	y	z	Total
	-1.277	0.495	0.000	1.370
CHELPG
AIM
ESP

	x	y	z
x	4.735	-0.086	0.000
y	-0.086	5.276	0.000
z	0.000	0.000	8.518

<r²>	96.319
(<r²>)^1/2	9.814

All results from a given calculation for NHCl2 (dichloroamine)

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

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)