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	hartrees
Energy at 0K	-264.772006
Energy at 298.15K	-264.770635
HF Energy	-264.772006
Nuclear repulsion energy	121.603401

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	2179	2171	0.00	45.28	0.31	0.48
2	Σ_g	756	753	0.00	34.66	0.25	0.40
3	Σ_u	2351	2342	2172.67	0.00	0.00	0.00
4	Σ_u	1578	1572	103.38	0.00	0.00	0.00
5	Π_g	563	561	0.00	0.35	0.75	0.86
5	Π_g	563	561	0.00	0.35	0.75	0.86
6	Π_u	549	547	51.14	0.00	0.00	0.00
6	Π_u	549	547	51.14	0.00	0.00	0.00
7	Π_u	83	83	0.08	0.00	0.00	0.00
7	Π_u	83	83	0.08	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	1.280
C3	0.000	0.000	-1.280
O4	0.000	0.000	2.456
O5	0.000	0.000	-2.456

	C1	C2	C3	O4	O5
C1		1.2802	1.2802	2.4556	2.4556
C2	1.2802		2.5604	1.1754	3.7358
C3	1.2802	2.5604		3.7358	1.1754
O4	2.4556	1.1754	3.7358		4.9112
O5	2.4556	3.7358	1.1754	4.9112

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: BLYP/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
1	C	-0.060
2	C	0.180
3	C	0.180
4	O	-0.150
5	O	-0.150

<r²>	133.751
(<r²>)^1/2	11.565

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

using model chemistry: BLYP/6-311G**

States and conformations

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