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	hartrees
Energy at 0K	-1033.210065
Energy at 298.15K	-1033.210511
Nuclear repulsion energy	189.479362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1823	1802	353.81
2	A₁	554	548	18.77
3	A₁	299	295	0.21
4	B₁	568	561	3.25
5	B₂	804	794	506.03
6	B₂	424	419	3.50

Atom	y (Å)	z (Å)
O1	0.000	1.693
C2	0.000	0.499
Cl3	1.464	-0.486
Cl4	-1.464	-0.486

	O1	C2	Cl3	Cl4
O1		1.1940	2.6257	2.6257
C2	1.1940		1.7650	1.7650
Cl3	2.6257	1.7650		2.9283
Cl4	2.6257	1.7650	2.9283

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.945		O1	C2	Cl4	123.945
Cl3	C2	Cl4	112.110

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: PBEPBE/6-31+G**

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	-0.153
2	C	-0.080
3	Cl	0.117
4	Cl	0.117

	x	y	z	Total
	0.000	0.000	-1.202	1.202
CHELPG
AIM
ESP

<r²>	127.962
(<r²>)^1/2	11.312

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CCl₂O (Phosgene)