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	hartrees
Energy at 0K	-1028.749787
Energy at 298.15K	-1028.750221
Nuclear repulsion energy	189.640444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1809	1736	252.11
2	A₁	540	518	19.03
3	A₁	307	294	0.01
4	B₁	589	565	6.32
5	B₂	753	723	508.53
6	B₂	420	403	5.88

Atom	y (Å)	z (Å)
O1	0.000	1.712
C2	0.000	0.514
Cl3	1.450	-0.493
Cl4	-1.450	-0.493

	O1	C2	Cl3	Cl4
O1		1.1982	2.6392	2.6392
C2	1.1982		1.7652	1.7652
Cl3	2.6392	1.7652		2.8994
Cl4	2.6392	1.7652	2.8994

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.790		O1	C2	Cl4	124.790
Cl3	C2	Cl4	110.419

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B3PW91/3-21G*

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	-0.346
2	C	0.179
3	Cl	0.084
4	Cl	0.084

	x	y	z	Total
	0.000	0.000	-0.993	0.993
CHELPG
AIM
ESP

<r²>	127.306
(<r²>)^1/2	11.283

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for CCl₂O (Phosgene)