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	hartrees
Energy at 0K	-51.470547
Energy at 298.15K	-51.470995
Nuclear repulsion energy	52.908476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1874	1810	406.35
2	A₁	557	538	20.16
3	A₁	293	283	0.07
4	B₁	571	551	4.99
5	B₂	833	805	523.61
6	B₂	432	417	1.28

Atom	y (Å)	z (Å)
O1	0.000	1.476
C2	0.000	0.281
Cl3	1.476	-0.713
Cl4	-1.476	-0.713

	O1	C2	Cl3	Cl4
O1		1.1949	2.6396	2.6396
C2	1.1949		1.7792	1.7792
Cl3	2.6396	1.7792		2.9520
Cl4	2.6396	1.7792	2.9520

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.944		O1	C2	Cl4	123.944
Cl3	C2	Cl4	112.112

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B3LYP/CEP-31G*

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	0.034
2	C	-0.018
3	Cl	-0.008
4	Cl	-0.008

	x	y	z	Total
	0.000	0.000	-1.233	1.233
CHELPG
AIM
ESP

<r²>	72.462
(<r²>)^1/2	8.512

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CCl₂O (Phosgene)