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	hartrees
Energy at 0K	-1032.499925
Energy at 298.15K	-1032.500502
HF Energy	-1031.701679
Nuclear repulsion energy	192.482717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1923	1811	297.26
2	A₁	597	562	16.27
3	A₁	310	292	0.01
4	B₁	612	577	7.69
5	B₂	900	847	460.27
6	B₂	461	434	0.20

Atom	y (Å)	z (Å)
O1	0.000	1.670
C2	0.000	0.498
Cl3	1.441	-0.481
Cl4	-1.441	-0.481

	O1	C2	Cl3	Cl4
O1		1.1717	2.5883	2.5883
C2	1.1717		1.7417	1.7417
Cl3	2.5883	1.7417		2.8817
Cl4	2.5883	1.7417	2.8817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.179		O1	C2	Cl4	124.179
Cl3	C2	Cl4	111.642

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CCl₂O (Phosgene)