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	hartrees
Energy at 0K	-974.452544
Energy at 298.15K	-974.452931
HF Energy	-973.952555
Nuclear repulsion energy	135.162537

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'	3425	3320	27.96	58.77	0.15	0.26
2	A'	1052	1019	36.23	1.85	0.40	0.57
3	A'	627	608	0.24	13.98	0.05	0.10
4	A'	288	280	0.06	6.28	0.35	0.52
5	A"	1323	1283	2.38	0.94	0.75	0.86
6	A"	693	672	37.50	5.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.831	0.000
H2	-0.953	1.163	0.000
Cl3	0.023	-0.205	1.449
Cl4	0.023	-0.205	-1.449

	N1	H2	Cl3	Cl4
N1		1.0311	1.7814	1.7814
H2	1.0311		2.2193	2.2193
Cl3	1.7814	2.2193		2.8985
Cl4	1.7814	2.2193	2.8985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	100.811		H2	N1	Cl4	100.811
Cl3	N1	Cl4	108.894

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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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All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)