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	hartrees
Energy at 0K	-1020.376020
Energy at 298.15K	-1020.376472
Nuclear repulsion energy	186.420767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2130	1739	116.29
2	A₁	656	536	13.70
3	A₁	301	246	2.66
4	B₁	576	470	21.36
5	B₂	1061	866	359.04
6	B₂	478	390	8.51

Atom	y (Å)	z (Å)
O1	0.000	1.707
C2	0.000	0.513
Cl3	1.496	-0.492
Cl4	-1.496	-0.492

	O1	C2	Cl3	Cl4
O1		1.1946	2.6598	2.6598
C2	1.1946		1.8018	1.8018
Cl3	2.6598	1.8018		2.9912
Cl4	2.6598	1.8018	2.9912

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.897		O1	C2	Cl4	123.897
Cl3	C2	Cl4	112.205

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: HF/STO-3G

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	-0.136
2	C	0.303
3	Cl	-0.083
4	Cl	-0.083

	x	y	z	Total
	0.000	0.000	0.410	0.410
CHELPG
AIM
ESP

<r²>	130.654
(<r²>)^1/2	11.430

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CCl₂O (Phosgene)