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	hartrees
Energy at 0K	-264.320966
Energy at 298.15K
HF Energy	-264.124656
Nuclear repulsion energy	120.429311

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	2141	2141	0.00	42.34	0.28	0.44
2	Σ_g	756	756	0.00	49.21	0.28	0.44
3	Σ_u	2401	2401	2102.06	0.00	0.00	0.00
4	Σ_u	1530	1530	150.07	0.00	0.00	0.00
5	Π_g	509	509	0.00	0.00	0.75	0.86
5	Π_g	509	509	0.00	0.00	0.75	0.86
6	Π_u	493	493	56.41	0.00	0.00	0.00
6	Π_u	493	493	56.41	0.00	0.00	0.00
7	Π_u	106	106	0.03	0.00	0.00	0.00
7	Π_u	106	106	0.03	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	1.279
C3	0.000	0.000	-1.279
O4	0.000	0.000	2.479
O5	0.000	0.000	-2.479

	C1	C2	C3	O4	O5
C1		1.2792	1.2792	2.4787	2.4787
C2	1.2792		2.5584	1.1995	3.7578
C3	1.2792	2.5584		3.7578	1.1995
O4	2.4787	1.1995	3.7578		4.9573
O5	2.4787	3.7578	1.1995	4.9573

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

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

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