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	hartrees
Energy at 0K	-264.590696
Energy at 298.15K	-264.585183
HF Energy	-264.719972
Nuclear repulsion energy	121.981105

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	2278	2187	0.00	41.46	0.28	0.44
2	Σ_g	788	756	0.00	33.82	0.26	0.42
3	Σ_u	2423	2327	2627.92	0.00	0.00	0.00
4	Σ_u	1651	1586	93.75	0.00	0.00	0.00
5	Π_g	577	555	0.00	0.20	0.75	0.86
5	Π_g	577	555	0.00	0.20	0.75	0.86
6	Π_u	587	564	67.47	0.00	0.00	0.00
6	Π_u	587	564	67.47	0.00	0.00	0.00
7	Π_u	129	124	0.09	0.00	0.00	0.00
7	Π_u	129	124	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	1.278
C3	0.000	0.000	-1.278
O4	0.000	0.000	2.448
O5	0.000	0.000	-2.448

	C1	C2	C3	O4	O5
C1		1.2775	1.2775	2.4479	2.4479
C2	1.2775		2.5551	1.1704	3.7255
C3	1.2775	2.5551		3.7255	1.1704
O4	2.4479	1.1704	3.7255		4.8959
O5	2.4479	3.7255	1.1704	4.8959

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: G3B3

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	0.503
2	C	0.106
3	C	0.106
4	O	-0.357
5	O	-0.357

<r²>	132.852
(<r²>)^1/2	11.526

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

using model chemistry: G3B3

States and conformations

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