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	hartrees
Energy at 0K	-1022.286696
Energy at 298.15K	-1022.286961
Nuclear repulsion energy	183.774557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1964	1735	101.40
2	A₁	591	522	16.42
3	A₁	275	243	1.50
4	B₁	525	464	10.90
5	B₂	913	806	341.73
6	B₂	424	374	0.62

Atom	y (Å)	z (Å)
O1	0.000	1.756
C2	0.000	0.534
Cl3	1.502	-0.507
Cl4	-1.502	-0.507

	O1	C2	Cl3	Cl4
O1		1.2218	2.7161	2.7161
C2	1.2218		1.8275	1.8275
Cl3	2.7161	1.8275		3.0034
Cl4	2.7161	1.8275	3.0034

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.741		O1	C2	Cl4	124.741
Cl3	C2	Cl4	110.518

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B1B95/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	-0.087
2	C	0.228
3	Cl	-0.070
4	Cl	-0.070

	x	y	z	Total
	0.000	0.000	0.539	0.539
CHELPG
AIM
ESP

<r²>	132.912
(<r²>)^1/2	11.529

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CCl₂O (Phosgene)