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	hartrees
Energy at 0K	-1031.757478
Energy at 298.15K	-1031.758153
Nuclear repulsion energy	193.028458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2075	1876	504.90
2	A₁	622	563	18.64
3	A₁	329	298	0.03
4	B₁	650	588	17.07
5	B₂	956	865	591.59
6	B₂	498	451	0.22

Atom	y (Å)	z (Å)
O1	0.000	1.640
C2	0.000	0.489
Cl3	1.450	-0.472
Cl4	-1.450	-0.472

	O1	C2	Cl3	Cl4
O1		1.1510	2.5617	2.5617
C2	1.1510		1.7396	1.7396
Cl3	2.5617	1.7396		2.9009
Cl4	2.5617	1.7396	2.9009

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	123.512		O1	C2	Cl4	123.512
Cl3	C2	Cl4	112.976

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	O	-0.295	-0.394	-0.348
2	C	0.319	0.614	0.509
3	Cl	-0.012	-0.110	-0.080
4	Cl	-0.012	-0.110	-0.080

<r²>	124.985
(<r²>)^1/2	11.180

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CCl₂O (Phosgene)