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	hartrees
Energy at 0K	-1022.053194
Energy at 298.15K	-1022.053310
Nuclear repulsion energy	179.868025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1841	1704	83.05
2	A₁	542	501	14.91
3	A₁	258	239	1.00
4	B₁	482	446	6.71
5	B₂	827	765	315.28
6	B₂	389	360	0.00

Atom	y (Å)	z (Å)
O1	0.000	1.794
C2	0.000	0.553
Cl3	1.534	-0.520
Cl4	-1.534	-0.520

	O1	C2	Cl3	Cl4
O1		1.2413	2.7756	2.7756
C2	1.2413		1.8712	1.8712
Cl3	2.7756	1.8712		3.0673
Cl4	2.7756	1.8712	3.0673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.956		O1	C2	Cl4	124.956
Cl3	C2	Cl4	110.089

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: BLYP/STO-3G

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	-0.070
2	C	0.199
3	Cl	-0.064
4	Cl	-0.064

	x	y	z	Total
	0.000	0.000	0.572	0.572
CHELPG
AIM
ESP

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CCl₂O (Phosgene)