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	hartrees
Energy at 0K	-1033.803025
Energy at 298.15K	-1033.803490
Nuclear repulsion energy	189.896526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1899	1835	381.25
2	A₁	550	531	20.13
3	A₁	301	291	0.17
4	B₁	582	562	6.80
5	B₂	803	776	559.03
6	B₂	436	421	5.95

Atom	y (Å)	z (Å)
O1	0.000	1.677
C2	0.000	0.505
Cl3	1.468	-0.484
Cl4	-1.468	-0.484

	O1	C2	Cl3	Cl4
O1		1.1716	2.6119	2.6119
C2	1.1716		1.7697	1.7697
Cl3	2.6119	1.7697		2.9350
Cl4	2.6119	1.7697	2.9350

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.978		O1	C2	Cl4	123.978
Cl3	C2	Cl4	112.044

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B3LYP/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	ESP
1	O	-0.186	-0.269
2	C	0.150	0.394
3	Cl	0.018	-0.062
4	Cl	0.018	-0.062

	x	y	z	Total
	0.000	0.000	-1.018	1.018
CHELPG
AIM
ESP	0.000	0.000	-0.925	0.925

<r²>	127.970
(<r²>)^1/2	11.312

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CCl₂O (Phosgene)