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	hartrees
Energy at 0K	-1026.648013
Energy at 298.15K	-1026.648425
Nuclear repulsion energy	185.587785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2023	1832	364.56
2	A₁	505	458	18.67
3	A₁	285	259	0.99
4	B₁	586	531	20.14
5	B₂	789	715	574.00
6	B₂	431	391	0.00

Atom	y (Å)	z (Å)
O1	0.000	1.712
C2	0.000	0.548
Cl3	1.501	-0.500
Cl4	-1.501	-0.500

	O1	C2	Cl3	Cl4
O1		1.1645	2.6730	2.6730
C2	1.1645		1.8302	1.8302
Cl3	2.6730	1.8302		3.0019
Cl4	2.6730	1.8302	3.0019

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.908		O1	C2	Cl4	124.908
Cl3	C2	Cl4	110.184

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: HF/3-21G

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	CHELPG	ESP
1	O	-0.408	-0.377	-0.345
2	C	0.179	0.697	0.623
3	Cl	0.115	-0.160	-0.139
4	Cl	0.115	-0.160	-0.139

	x	y	z	Total
	0.000	0.000	-0.657	0.657
CHELPG	0.000	0.000	-0.495	0.495
AIM
ESP	0.000	0.000	-0.534	0.534

<r²>	133.956
(<r²>)^1/2	11.574

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for CCl₂O (Phosgene)