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	hartrees
Energy at 0K	-1033.727020
Energy at 298.15K	-1033.727566
HF Energy	-1033.727020
Nuclear repulsion energy	191.209286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1937	1853	402.79
2	A₁	579	553	20.52
3	A₁	312	299	0.08
4	B₁	597	571	8.06
5	B₂	856	819	568.99
6	B₂	453	434	1.59

Atom	y (Å)	z (Å)
O1	0.000	1.668
C2	0.000	0.498
Cl3	1.457	-0.480
Cl4	-1.457	-0.480

	O1	C2	Cl3	Cl4
O1		1.1697	2.5953	2.5953
C2	1.1697		1.7546	1.7546
Cl3	2.5953	1.7546		2.9131
Cl4	2.5953	1.7546	2.9131

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.888		O1	C2	Cl4	123.888
Cl3	C2	Cl4	112.224

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: wB97X-D/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	-0.198
2	C	0.154
3	Cl	0.022
4	Cl	0.022

	x	y	z	Total
	0.000	0.000	-1.094	1.094
CHELPG
AIM
ESP

<r²>	126.329
(<r²>)^1/2	11.240

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CCl₂O (Phosgene)