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	hartrees
Energy at 0K	-1026.985335
Energy at 298.15K	-1026.985503
HF Energy	-1026.643569
Nuclear repulsion energy	180.084267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1810	1754	221.98
2	A₁	440	426	20.82
3	A₁	252	244	0.45
4	B₁	510	494	10.85
5	B₂	692	671	458.00
6	B₂	374	362	3.24

Atom	y (Å)	z (Å)
O1	0.000	1.773
C2	0.000	0.580
Cl3	1.540	-0.520
Cl4	-1.540	-0.520

	O1	C2	Cl3	Cl4
O1		1.1934	2.7620	2.7620
C2	1.1934		1.8924	1.8924
Cl3	2.7620	1.8924		3.0807
Cl4	2.7620	1.8924	3.0807

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	125.514		O1	C2	Cl4	125.514
Cl3	C2	Cl4	108.972

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

All results from a given calculation for CCl₂O (Phosgene)