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	hartrees
Energy at 0K	-50.427719
Energy at 298.15K	-50.428269
Nuclear repulsion energy	52.593644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1901	1714	489.15
2	A₁	574	517	16.94
3	A₁	306	276	0.46
4	B₁	591	533	20.88
5	B₂	913	823	510.93
6	B₂	472	425	4.07

Atom	y (Å)	z (Å)
O1	0.000	1.469
C2	0.000	0.279
Cl3	1.501	-0.709
Cl4	-1.501	-0.709

	O1	C2	Cl3	Cl4
O1		1.1908	2.6458	2.6458
C2	1.1908		1.7970	1.7970
Cl3	2.6458	1.7970		3.0021
Cl4	2.6458	1.7970	3.0021

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.355		O1	C2	Cl4	123.355
Cl3	C2	Cl4	113.290

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: HF/CEP-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	-0.052
2	C	-0.094
3	Cl	0.073
4	Cl	0.073

	x	y	z	Total
	0.000	0.000	-1.341	1.341
CHELPG
AIM
ESP

<r²>	74.562
(<r²>)^1/2	8.635

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CCl₂O (Phosgene)