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	hartrees
Energy at 0K	-264.538838
Energy at 298.15K
HF Energy	-264.274621
Nuclear repulsion energy	121.532510

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	2213	2213	0.00	88.32	0.47	0.64
2	Σ_g	769	769	0.00	57.31	0.18	0.30
3	Σ_u	2395	2395	2817.49	0.00	0.68	0.81
4	Σ_u	1602	1602	123.34	0.00	0.71	0.83
5	Π_g	574	574	0.00	0.98	0.75	0.86
5	Π_g	574	574	0.00	0.98	0.75	0.86
6	Π_u	514	514	38.57	0.00	0.00	0.00
6	Π_u	514	514	38.57	0.00	0.00	0.00
7	Π_u	51i	51i	0.15	0.00	0.00	0.00
7	Π_u	51i	51i	0.15	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	1.284
C3	0.000	0.000	-1.284
O4	0.000	0.000	2.457
O5	0.000	0.000	-2.457

	C1	C2	C3	O4	O5
C1		1.2841	1.2841	2.4573	2.4573
C2	1.2841		2.5683	1.1732	3.7415
C3	1.2841	2.5683		3.7415	1.1732
O4	2.4573	1.1732	3.7415		4.9146
O5	2.4573	3.7415	1.1732	4.9146

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: B2PLYP/daug-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	2.144
2	C	-0.269
3	C	-0.269
4	O	-0.802
5	O	-0.802

<r²>	134.430
(<r²>)^1/2	11.594

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

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

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