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	hartrees
Energy at 0K	-1033.571716
Energy at 298.15K	-1033.572244
Nuclear repulsion energy	191.161039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1892	1816	390.62
2	A₁	580	556	19.41
3	A₁	309	297	0.14
4	B₁	593	569	5.46
5	B₂	857	823	521.90
6	B₂	447	429	1.01

Atom	y (Å)	z (Å)
O1	0.000	1.675
C2	0.000	0.492
Cl3	1.454	-0.481
Cl4	-1.454	-0.481

	O1	C2	Cl3	Cl4
O1		1.1826	2.5998	2.5998
C2	1.1826		1.7491	1.7491
Cl3	2.5998	1.7491		2.9075
Cl4	2.5998	1.7491	2.9075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.786		O1	C2	Cl4	123.786
Cl3	C2	Cl4	112.428

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: B3PW91/6-31+G**

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	-0.175
2	C	-0.062
3	Cl	0.119
4	Cl	0.119

	x	y	z	Total
	0.000	0.000	-1.285	1.285
CHELPG
AIM
ESP

<r²>	126.074
(<r²>)^1/2	11.228

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CCl₂O (Phosgene)