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	hartrees
Energy at 0K	-264.611930
Energy at 298.15K	-264.610799
HF Energy	-264.611930
Nuclear repulsion energy	122.456391

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	2346	2222	0.00	45.42	0.28	0.44
2	Σ_g	802	759	0.00	35.19	0.26	0.42
3	Σ_u	2437	2308	3436.34	0.00	0.00	0.00
4	Σ_u	1700	1610	80.60	0.00	0.00	0.00
5	Π_g	599	567	0.00	0.14	0.75	0.86
5	Π_g	599	567	0.00	0.14	0.75	0.86
6	Π_u	616	583	85.28	0.00	0.00	0.00
6	Π_u	616	583	85.28	0.00	0.00	0.00
7	Π_u	116	110	0.00	0.00	0.00	0.00
7	Π_u	116	110	0.00	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	2.439
O5	0.000	0.000	-2.439

	C1	C2	C3	O4	O5
C1		1.2779	1.2779	2.4391	2.4391
C2	1.2779		2.5558	1.1612	3.7170
C3	1.2779	2.5558		3.7170	1.1612
O4	2.4391	1.1612	3.7170		4.8782
O5	2.4391	3.7170	1.1612	4.8782

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: M06-2X/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	0.397
2	C	0.166
3	C	0.166
4	O	-0.364
5	O	-0.364

<r²>	132.212
(<r²>)^1/2	11.498

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

using model chemistry: M06-2X/6-31G*

States and conformations

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