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	hartrees
Energy at 0K	-152.191273
Energy at 298.15K	-152.192302
HF Energy	-151.721345
Nuclear repulsion energy	57.930442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3217	3217
2	A₁	2211	2211
3	A₁	1443	1443
4	A₁	1164	1164
5	B₁	592	592
6	B₁	506	506
7	B₂	3316	3316
8	B₂	1016	1016
9	B₂	437	437

Atom	y (Å)	z (Å)
C1	0.000	-1.222
C2	0.000	0.100
O3	0.000	1.281
H4	0.942	-1.758
H5	-0.942	-1.758

	C1	C2	O3	H4	H5
C1		1.3216	2.5022	1.0839	1.0839
C2	1.3216		1.1806	2.0834	2.0834
O3	2.5022	1.1806		3.1815	3.1815
H4	1.0839	2.0834	3.1815		1.8833
H5	1.0839	2.0834	3.1815	1.8833

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.685
C2	C1	H5	119.685		H4	C1	H5	120.629

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: QCISD(T)=FULL/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 CH2CO (Ketene)

using model chemistry: QCISD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂CO (Ketene)