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	hartrees
Energy at 0K	-1033.678939
Energy at 298.15K	-1033.679338
Nuclear repulsion energy	186.135601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1834	1749	334.76
2	A₁	526	502	19.42
3	A₁	287	274	0.11
4	B₁	558	532	8.69
5	B₂	787	751	505.73
6	B₂	426	406	1.43

Atom	y (Å)	z (Å)
O1	0.000	1.715
C2	0.000	0.521
Cl3	1.494	-0.495
Cl4	-1.494	-0.495

	O1	C2	Cl3	Cl4
O1		1.1937	2.6679	2.6679
C2	1.1937		1.8072	1.8072
Cl3	2.6679	1.8072		2.9886
Cl4	2.6679	1.8072	2.9886

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.223		O1	C2	Cl4	124.223
Cl3	C2	Cl4	111.553

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B1B95/6-31G

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	-0.239
2	C	-0.076
3	Cl	0.158
4	Cl	0.158

	x	y	z	Total
	0.000	0.000	-0.920	0.920
CHELPG
AIM
ESP

<r²>	132.212
(<r²>)^1/2	11.498

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CCl₂O (Phosgene)