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	hartrees
Energy at 0K	-1032.676559
Energy at 298.15K	-1032.677142
HF Energy	-1031.800886
Nuclear repulsion energy	192.385956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1914	1814	326.80
2	A₁	593	562	16.79
3	A₁	310	294	0.06
4	B₁	611	579	6.83
5	B₂	898	852	457.48
6	B₂	462	438	0.01

Atom	y (Å)	z (Å)
O1	0.000	1.668
C2	0.000	0.497
Cl3	1.443	-0.480
Cl4	-1.443	-0.480

	O1	C2	Cl3	Cl4
O1		1.1709	2.5879	2.5879
C2	1.1709		1.7430	1.7430
Cl3	2.5879	1.7430		2.8868
Cl4	2.5879	1.7430	2.8868

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.095		O1	C2	Cl4	124.095
Cl3	C2	Cl4	111.810

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: CCSD=FULL/cc-pVTZ

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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)