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	hartrees
Energy at 0K	-1033.326843
Energy at 298.15K	-1033.327275
Nuclear repulsion energy	190.136509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1812	1800	319.22
2	A₁	548	545	16.30
3	A₁	291	289	0.29
4	B₁	568	564	2.95
5	B₂	783	778	456.76
6	B₂	419	416	3.40

Atom	y (Å)	z (Å)
O1	0.000	1.692
C2	0.000	0.507
Cl3	1.456	-0.487
Cl4	-1.456	-0.487

	O1	C2	Cl3	Cl4
O1		1.1850	2.6204	2.6204
C2	1.1850		1.7626	1.7626
Cl3	2.6204	1.7626		2.9114
Cl4	2.6204	1.7626	2.9114

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.324		O1	C2	Cl4	124.324
Cl3	C2	Cl4	111.351

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	-0.306
2	C	0.319
3	Cl	-0.006
4	Cl	-0.006

	x	y	z	Total
	0.000	0.000	-1.149	1.149
CHELPG
AIM
ESP

<r²>	126.968
(<r²>)^1/2	11.268

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)