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	hartrees
Energy at 0K	-1033.834215
Energy at 298.15K	-1033.834753
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1897	1817	358.72
2	A₁	586	561	16.24
3	A₁	304	291	0.16
4	B₁	592	567	4.69
5	B₂	864	827	477.48
6	B₂	446	427	0.16

Atom	y (Å)	z (Å)
O1	0.000	1.673
C2	0.000	0.496
Cl3	1.445	-0.481
Cl4	-1.445	-0.481

	O1	C2	Cl3	Cl4
O1		1.1765	2.5940	2.5940
C2	1.1765		1.7447	1.7447
Cl3	2.5940	1.7447		2.8901
Cl4	2.5940	1.7447	2.8901

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.080		O1	C2	Cl4	124.080
Cl3	C2	Cl4	111.839

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B1B95/aug-cc-pVDZ

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	-0.233
2	C	-0.012
3	Cl	0.122
4	Cl	0.122

	x	y	z	Total
	0.000	0.000	-1.240	1.240
CHELPG
AIM
ESP

<r²>	125.056
(<r²>)^1/2	11.183

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)