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	hartrees
Energy at 0K	-1033.739290
Energy at 298.15K	-1033.739657
Nuclear repulsion energy	187.479233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1783	1780	318.71
2	A₁	520	519	16.22
3	A₁	282	282	0.31
4	B₁	551	550	3.13
5	B₂	754	753	460.83
6	B₂	405	404	6.04

Atom	y (Å)	z (Å)
O1	0.000	1.707
C2	0.000	0.515
Cl3	1.481	-0.492
Cl4	-1.481	-0.492

	O1	C2	Cl3	Cl4
O1		1.1920	2.6514	2.6514
C2	1.1920		1.7912	1.7912
Cl3	2.6514	1.7912		2.9629
Cl4	2.6514	1.7912	2.9629

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.202		O1	C2	Cl4	124.202
Cl3	C2	Cl4	111.597

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.176
2	C	-0.040
3	Cl	0.108
4	Cl	0.108

	x	y	z	Total
	0.000	0.000	-1.108	1.108
CHELPG
AIM
ESP

<r²>	130.401
(<r²>)^1/2	11.419

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)