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	hartrees
Energy at 0K	-1033.648793
Energy at 298.15K	-1033.649305
Nuclear repulsion energy	191.120615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1910	1839	386.52
2	A₁	571	549	19.94
3	A₁	308	296	0.15
4	B₁	592	569	6.49
5	B₂	832	801	563.58
6	B₂	446	429	3.39

Atom	y (Å)	z (Å)
O1	0.000	1.670
C2	0.000	0.498
Cl3	1.456	-0.481
Cl4	-1.456	-0.481

	O1	C2	Cl3	Cl4
O1		1.1722	2.5978	2.5978
C2	1.1722		1.7546	1.7546
Cl3	2.5978	1.7546		2.9119
Cl4	2.5978	1.7546	2.9119

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.924		O1	C2	Cl4	123.924
Cl3	C2	Cl4	112.153

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B3PW91/6-311G*

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	-0.197
2	C	0.146
3	Cl	0.025
4	Cl	0.025

	x	y	z	Total
	0.000	0.000	-1.097	1.097
CHELPG
AIM
ESP

<r²>	126.330
(<r²>)^1/2	11.240

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CCl₂O (Phosgene)