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	hartrees
Energy at 0K	-1033.831116
Energy at 298.15K	-1033.831597
HF Energy	-1033.831116
Nuclear repulsion energy	191.072225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1869	1799	363.38
2	A₁	557	536	17.86
3	A₁	298	287	0.22
4	B₁	591	569	5.13
5	B₂	815	785	484.80
6	B₂	436	420	2.52

Atom	y (Å)	z (Å)
O1	0.000	1.675
C2	0.000	0.501
Cl3	1.455	-0.483
Cl4	-1.455	-0.483

	O1	C2	Cl3	Cl4
O1		1.1738	2.6021	2.6021
C2	1.1738		1.7561	1.7561
Cl3	2.6021	1.7561		2.9096
Cl4	2.6021	1.7561	2.9096

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.064		O1	C2	Cl4	124.064
Cl3	C2	Cl4	111.871

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B3LYP/Def2TZVPP

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	-0.151
2	C	0.205
3	Cl	-0.027
4	Cl	-0.027

	x	y	z	Total
	0.000	0.000	-1.257	1.257
CHELPG
AIM
ESP

<r²>	126.087
(<r²>)^1/2	11.229

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for CCl₂O (Phosgene)