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	hartrees
Energy at 0K	-1033.288714
Energy at 298.15K	-1033.289148
Nuclear repulsion energy	189.419143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1843	1826	339.13
2	A₁	545	540	18.95
3	A₁	297	294	0.19
4	B₁	566	561	4.19
5	B₂	780	773	542.65
6	B₂	422	418	7.98

Atom	y (Å)	z (Å)
O1	0.000	1.689
C2	0.000	0.506
Cl3	1.466	-0.487
Cl4	-1.466	-0.487

	O1	C2	Cl3	Cl4
O1		1.1834	2.6242	2.6242
C2	1.1834		1.7709	1.7709
Cl3	2.6242	1.7709		2.9327
Cl4	2.6242	1.7709	2.9327

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.104		O1	C2	Cl4	124.104
Cl3	C2	Cl4	111.792

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: PBEPBE/6-311G**

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	-0.158
2	C	0.094
3	Cl	0.032
4	Cl	0.032

	x	y	z	Total
	0.000	0.000	-0.969	0.969
CHELPG
AIM
ESP

<r²>	128.180
(<r²>)^1/2	11.322

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CCl₂O (Phosgene)