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	hartrees
Energy at 0K	-1032.605604
Energy at 298.15K	-1032.606154
HF Energy	-1031.802749
Nuclear repulsion energy	191.704398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1870	1800	318.19
2	A₁	583	562	16.14
3	A₁	306	294	0.15
4	B₁	594	572	5.58
5	B₂	880	846	441.79
6	B₂	453	436	0.00

Atom	y (Å)	z (Å)
O1	0.000	1.675
C2	0.000	0.499
Cl3	1.448	-0.482
Cl4	-1.448	-0.482

	O1	C2	Cl3	Cl4
O1		1.1765	2.5983	2.5983
C2	1.1765		1.7490	1.7490
Cl3	2.5983	1.7490		2.8958
Cl4	2.5983	1.7490	2.8958

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	Cl3	124.121		O1	C2	Cl4	124.121
Cl3	C2	Cl4	111.757

All results from a given calculation for CCl₂O (Phosgene)

using model chemistry: QCISD/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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All results from a given calculation for CCl2O (Phosgene)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CCl₂O (Phosgene)