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	hartrees
Energy at 0K	-264.549937
Energy at 298.15K	-264.548785
HF Energy	-264.549937
Nuclear repulsion energy	121.411612

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	2225	2107	0.00	29.46	0.27	0.43
2	Σ_g	781	739	0.00	36.52	0.27	0.42
3	Σ_u	2442	2311	2545.93	0.00	0.00	0.00
4	Σ_u	1599	1514	176.45	0.00	0.00	0.00
5	Π_g	540	511	0.00	0.00	0.75	0.86
5	Π_g	540	511	0.00	0.00	0.75	0.86
6	Π_u	582	551	72.79	0.00	0.00	0.00
6	Π_u	582	551	72.79	0.00	0.00	0.00
7	Π_u	144	136	0.53	0.00	0.00	0.00
7	Π_u	144	136	0.53	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	1.274
C3	0.000	0.000	-1.274
O4	0.000	0.000	2.459
O5	0.000	0.000	-2.459

	C1	C2	C3	O4	O5
C1		1.2735	1.2735	2.4589	2.4589
C2	1.2735		2.5471	1.1853	3.7324
C3	1.2735	2.5471		3.7324	1.1853
O4	2.4589	1.1853	3.7324		4.9178
O5	2.4589	3.7324	1.1853	4.9178

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: mPW1PW91/6-31G

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	0.314
2	C	0.138
3	C	0.138
4	O	-0.295
5	O	-0.295

<r²>	134.327
(<r²>)^1/2	11.590

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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