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	hartrees
Energy at 0K	-142.054960
Energy at 298.15K	-142.055477
Nuclear repulsion energy	77.528043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1943	1749	522.11
2	A₁	551	496	20.43
3	A₁	306	275	0.55
4	B₁	596	536	23.54
5	B₂	862	776	484.27
6	B₂	466	420	0.98

Atom	y (Å)	z (Å)
O1	0.000	1.340
C2	0.000	0.159
Cl3	1.491	-0.834
Cl4	-1.491	-0.834

	O1	C2	Cl3	Cl4
O1		1.1801	2.6354	2.6354
C2	1.1801		1.7912	1.7912
Cl3	2.6354	1.7912		2.9812
Cl4	2.6354	1.7912	2.9812

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.676		O1	C2	Cl4	123.676
Cl3	C2	Cl4	112.648

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: HF/LANL2DZ

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	-0.180
2	C	0.145
3	Cl	0.018
4	Cl	0.018

	x	y	z	Total
	0.000	0.000	-1.058	1.058
CHELPG
AIM
ESP

<r²>	77.898
(<r²>)^1/2	8.826

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)