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	hartrees
Energy at 0K	-1032.388652
Energy at 298.15K	-1032.389164
Nuclear repulsion energy	190.343588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1798	1742	289.62
2	A₁	572	554	20.86
3	A₁	306	297	0.07
4	B₁	577	559	3.96
5	B₂	843	817	477.84
6	B₂	441	427	0.58

Atom	y (Å)	z (Å)
O1	0.000	1.693
C2	0.000	0.499
Cl3	1.453	-0.486
Cl4	-1.453	-0.486

	O1	C2	Cl3	Cl4
O1		1.1936	2.6190	2.6190
C2	1.1936		1.7557	1.7557
Cl3	2.6190	1.7557		2.9065
Cl4	2.6190	1.7557	2.9065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.136		O1	C2	Cl4	124.136
Cl3	C2	Cl4	111.729

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: MP2=FULL/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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All results from a given calculation for CCl2O (Phosgene)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)