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	hartrees
Energy at 0K	-227.330533
Energy at 298.15K
HF Energy	-226.623536
Nuclear repulsion energy	100.896689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2986	2986
2	A_g	1748	1748
3	A_g	1360	1360
4	A_g	1090	1090
5	A_g	555	555
6	A_u	807	807
7	A_u	133	133
8	B_g	1052	1052
9	B_u	2982	2982
10	B_u	1724	1724
11	B_u	1320	1320
12	B_u	333	333

Atom	x (Å)	y (Å)
C1	-0.332	0.689
C2	0.332	-0.689
H3	-1.447	0.681
H4	1.447	-0.681
O5	0.332	1.714
O6	-0.332	-1.714

	C1	C2	H3	H4	O5	O6
C1		1.5296	1.1146	2.2455	1.2217	2.4026
C2	1.5296		2.2455	1.1146	2.4026	1.2217
H3	1.1146	2.2455		3.1983	2.0574	2.6414
H4	2.2455	1.1146	3.1983		2.6414	2.0574
O5	1.2217	2.4026	2.0574	2.6414		3.4914
O6	2.4026	1.2217	2.6414	2.0574	3.4914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.357	C1	C2	O6	121.271
C2	C1	H3	115.357	C2	C1	O5	121.271
H3	C1	O5	123.371	H4	C2	O6	123.371

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD(T)=FULL/daug-cc-pVDZ

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 C2H2O2 (Ethanedial)

using model chemistry: CCSD(T)=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)