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	hartrees
Energy at 0K	-1033.632991
Energy at 298.15K	-1033.633505
Nuclear repulsion energy	191.022491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1878	1811	348.90
2	A₁	575	554	16.06
3	A₁	302	292	0.19
4	B₁	587	566	4.32
5	B₂	842	812	474.54
6	B₂	440	424	0.69

Atom	y (Å)	z (Å)
O1	0.000	1.679
C2	0.000	0.500
Cl3	1.452	-0.483
Cl4	-1.452	-0.483

	O1	C2	Cl3	Cl4
O1		1.1799	2.6049	2.6049
C2	1.1799		1.7533	1.7533
Cl3	2.6049	1.7533		2.9038
Cl4	2.6049	1.7533	2.9038

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.095		O1	C2	Cl4	124.095
Cl3	C2	Cl4	111.809

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B3PW91/aug-cc-pVDZ

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	-0.234
2	C	0.008
3	Cl	0.113
4	Cl	0.113

	x	y	z	Total
	0.000	0.000	-1.219	1.219
CHELPG
AIM
ESP

<r²>	126.017
(<r²>)^1/2	11.226

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)