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	hartrees
Energy at 0K	-1033.741604
Energy at 298.15K	-1033.742134
HF Energy	-1033.741604
Nuclear repulsion energy	192.220927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1925	1839	384.19
2	A₁	582	556	16.48
3	A₁	299	286	0.23
4	B₁	592	566	5.51
5	B₂	847	810	489.38
6	B₂	452	432	0.23

Atom	y (Å)	z (Å)
O1	0.000	1.667
C2	0.000	0.497
Cl3	1.446	-0.480
Cl4	-1.446	-0.480

	O1	C2	Cl3	Cl4
O1		1.1693	2.5882	2.5882
C2	1.1693		1.7453	1.7453
Cl3	2.5882	1.7453		2.8920
Cl4	2.5882	1.7453	2.8920

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.055		O1	C2	Cl4	124.055
Cl3	C2	Cl4	111.890

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.393
2	C	0.274
3	Cl	0.060
4	Cl	0.060

	x	y	z	Total
	0.000	0.000	-1.277	1.277
CHELPG
AIM
ESP

<r²>	124.890
(<r²>)^1/2	11.175

All results from a given calculation for CCl2O (Phosgene)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)