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	hartrees
Energy at 0K	-50.546161
Energy at 298.15K	-50.546818
Nuclear repulsion energy	53.932923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2065	1854	552.88
2	A₁	632	568	19.37
3	A₁	324	291	0.00
4	B₁	639	574	15.91
5	B₂	986	885	563.34
6	B₂	491	441	1.96

Atom	y (Å)	z (Å)
O1	0.000	1.440
C2	0.000	0.270
Cl3	1.456	-0.694
Cl4	-1.456	-0.694

	O1	C2	Cl3	Cl4
O1		1.1706	2.5838	2.5838
C2	1.1706		1.7459	1.7459
Cl3	2.5838	1.7459		2.9111
Cl4	2.5838	1.7459	2.9111

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.520		O1	C2	Cl4	123.520
Cl3	C2	Cl4	112.959

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	-0.070
2	C	0.139
3	Cl	-0.035
4	Cl	-0.035

	x	y	z	Total
	0.000	0.000	-1.433	1.433
CHELPG
AIM
ESP

<r²>	70.893
(<r²>)^1/2	8.420

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)