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	hartrees
Energy at 0K	-190.435472
Energy at 298.15K
HF Energy	-189.606609
Nuclear repulsion energy	88.048938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3099	3099
2	A₁	2250	2250
3	A₁	1722	1722
4	A₁	1496	1496
5	A₁	894	894
6	B₁	1017	1017
7	B₁	607	607
8	B₁	194	194
9	B₂	3147	3147
10	B₂	1060	1060
11	B₂	418	418
12	B₂	217i	217i

Atom	y (Å)	z (Å)
C1	0.000	-1.882
C2	0.000	-0.559
C3	0.000	0.720
O4	0.000	1.905
H5	0.921	-2.456
H6	-0.921	-2.456

	C1	C2	C3	O4	H5	H6
C1		1.3222	2.6018	3.7863	1.0853	1.0853
C2	1.3222		1.2796	2.4641	2.1083	2.1083
C3	2.6018	1.2796		1.1844	3.3070	3.3070
O4	3.7863	2.4641	1.1844		4.4568	4.4568
H5	1.0853	2.1083	3.3070	4.4568		1.8418
H6	1.0853	2.1083	3.3070	4.4568	1.8418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	180.000	C2	C1	H5	121.951
C2	C1	H6	121.951	C2	C3	O4	180.000
H5	C1	H6	116.098

All results from a given calculation for C₃H₂O (Propadienal)

using model chemistry: MP4=FULL/daug-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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All results from a given calculation for C3H2O (Propadienal)

using model chemistry: MP4=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₂O (Propadienal)