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	hartrees
Energy at 0K	-1031.804271
Energy at 298.15K	-1031.804946
Nuclear repulsion energy	193.397695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2043	1860	454.41
2	A₁	621	566	15.06
3	A₁	323	294	0.15
4	B₁	654	595	11.13
5	B₂	951	866	509.17
6	B₂	493	449	0.51

Atom	y (Å)	z (Å)
O1	0.000	1.642
C2	0.000	0.489
Cl3	1.444	-0.473
Cl4	-1.444	-0.473

	O1	C2	Cl3	Cl4
O1		1.1524	2.5605	2.5605
C2	1.1524		1.7354	1.7354
Cl3	2.5605	1.7354		2.8890
Cl4	2.5605	1.7354	2.8890

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.657		O1	C2	Cl4	123.657
Cl3	C2	Cl4	112.686

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: HF/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	-0.375
2	C	0.417
3	Cl	-0.021
4	Cl	-0.021

	x	y	z	Total
	0.000	0.000	-1.387	1.387
CHELPG
AIM
ESP

<r²>	124.110
(<r²>)^1/2	11.140

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)