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	hartrees
Energy at 0K	-264.745201
Energy at 298.15K	-264.743965
HF Energy	-264.745201
Nuclear repulsion energy	122.656639

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	2281	2202	0.00	42.46	0.29	0.45
2	Σ_g	787	760	0.00	33.14	0.24	0.39
3	Σ_u	2423	2338	2677.49	0.00	0.00	0.00
4	Σ_u	1651	1593	77.99	0.00	0.00	0.00
5	Π_g	602	581	0.00	0.68	0.75	0.86
5	Π_g	602	581	0.00	0.68	0.75	0.86
6	Π_u	612	590	55.09	0.00	0.00	0.00
6	Π_u	612	590	55.09	0.00	0.00	0.00
7	Π_u	84	81	0.02	0.00	0.00	0.00
7	Π_u	84	81	0.02	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	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.435
O5	0.000	0.000	-2.435

	C1	C2	C3	O4	O5
C1		1.2723	1.2723	2.4348	2.4348
C2	1.2723		2.5445	1.1625	3.7071
C3	1.2723	2.5445		3.7071	1.1625
O4	2.4348	1.1625	3.7071		4.8696
O5	2.4348	3.7071	1.1625	4.8696

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: B3LYP/6-31G(2df,p)

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	-0.592
2	C	0.502
3	C	0.502
4	O	-0.207
5	O	-0.207

<r²>	131.543
(<r²>)^1/2	11.469

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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