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	hartrees
Energy at 0K	-264.720751
Energy at 298.15K
HF Energy	-264.720751
Nuclear repulsion energy	123.199246

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	2328	2223	0.00	56.04	0.37	0.54
2	Σ_g	795	759	0.00	36.17	0.23	0.37
3	Σ_u	2409	2301	3776.58	0.00	0.00	0.00
4	Σ_u	1693	1617	80.52	0.00	0.00	0.00
5	Π_g	609	582	0.00	0.51	0.75	0.86
5	Π_g	609	582	0.00	0.51	0.75	0.86
6	Π_u	592	566	68.18	0.00	0.00	0.00
6	Π_u	592	566	68.18	0.00	0.00	0.00
7	Π_u	22i	21i	0.37	0.00	0.00	0.00
7	Π_u	22i	21i	0.37	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	1.273
C3	0.000	0.000	-1.273
O4	0.000	0.000	2.425
O5	0.000	0.000	-2.425

	C1	C2	C3	O4	O5
C1		1.2726	1.2726	2.4246	2.4246
C2	1.2726		2.5451	1.1520	3.6971
C3	1.2726	2.5451		3.6971	1.1520
O4	2.4246	1.1520	3.6971		4.8492
O5	2.4246	3.6971	1.1520	4.8492

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/cc-pVTZ

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	-0.291
2	C	0.346
3	C	0.346
4	O	-0.201
5	O	-0.201

<r²>	131.187
(<r²>)^1/2	11.454

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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