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	hartrees
Energy at 0K	-264.759157
Energy at 298.15K
HF Energy	-264.759157
Nuclear repulsion energy	121.999799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	2252	2185	0.00	69.08	0.48	0.65
2	Σ_g	779	756	0.00	43.52	0.17	0.29
3	Σ_u	2397	2326	3062.67	0.00	0.00	0.00
4	Σ_u	1634	1585	124.09	0.00	0.00	0.00
5	Π_g	574	557	0.00	0.99	0.75	0.86
5	Π_g	574	557	0.00	0.99	0.75	0.86
6	Π_u	522	506	43.00	0.00	0.00	0.00
6	Π_u	522	506	43.00	0.00	0.00	0.00
7	Π_u	38i	37i	0.09	0.00	0.00	0.00
7	Π_u	38i	37i	0.09	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.281
C3	0.000	0.000	-1.281
O4	0.000	0.000	2.448
O5	0.000	0.000	-2.448

	C1	C2	C3	O4	O5
C1		1.2811	1.2811	2.4481	2.4481
C2	1.2811		2.5622	1.1670	3.7292
C3	1.2811	2.5622		3.7292	1.1670
O4	2.4481	1.1670	3.7292		4.8961
O5	2.4481	3.7292	1.1670	4.8961

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O4	180.000		C1	C3	O5	180.000
C2	C1	C3	180.000

All results from a given calculation for C₃O₂ (Carbon suboxide)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	C	0.442
2	C	0.100
3	C	0.100
4	O	-0.321
5	O	-0.321

<r²>	133.575
(<r²>)^1/2	11.557

All results from a given calculation for C3O2 (Carbon suboxide)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃O₂ (Carbon suboxide)