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	hartrees
Energy at 0K	-1033.292855
Energy at 298.15K	-1033.293359
HF Energy	-1033.101188
Nuclear repulsion energy	190.467987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1875	1780	307.76
2	A₁	573	544	19.85
3	A₁	309	293	0.00
4	B₁	587	557	8.54
5	B₂	854	811	522.87
6	B₂	443	420	1.39

Atom	y (Å)	z (Å)
O1	0.000	1.685
C2	0.000	0.501
Cl3	1.457	-0.485
Cl4	-1.457	-0.485

	O1	C2	Cl3	Cl4
O1		1.1845	2.6142	2.6142
C2	1.1845		1.7595	1.7595
Cl3	2.6142	1.7595		2.9147
Cl4	2.6142	1.7595	2.9147

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.075		O1	C2	Cl4	124.075
Cl3	C2	Cl4	111.850

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B2PLYP/6-31G*

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	-0.275
2	C	0.163
3	Cl	0.056
4	Cl	0.056

	x	y	z	Total
	0.000	0.000	-1.055	1.055
CHELPG
AIM
ESP

<r²>	126.680
(<r²>)^1/2	11.255

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CCl₂O (Phosgene)