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	hartrees
Energy at 0K	-189.280433
Energy at 298.15K	-189.278219
HF Energy	-189.083719
Nuclear repulsion energy	76.148096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2328	2328	1304.50
2	Σ	1936	1936	21.18
3	Σ	952	952	1.28
4	Π	605	605	28.61
4	Π	605	605	28.61
5	Π	155	155	4.70
5	Π	155	155	4.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.037
C2	0.000	0.000	-0.759
C3	0.000	0.000	0.538
O4	0.000	0.000	1.693

	C1	C2	C3	O4
C1		1.2771	2.5747	3.7300
C2	1.2771		1.2976	2.4529
C3	2.5747	1.2976		1.1553
O4	3.7300	2.4529	1.1553

Number	Element	Mulliken
1	C	-0.074
2	C	-0.066
3	C	0.269
4	O	-0.129

All results from a given calculation for C₃O (Tricarbon monoxide)

using model chemistry: B2PLYP/6-311G**

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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<r²>	68.125
(<r²>)^1/2	8.254

All results from a given calculation for C3O (Tricarbon monoxide)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for C₃O (Tricarbon monoxide)