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	hartrees
Energy at 0K	-227.316461
Energy at 298.15K
HF Energy	-226.622076
Nuclear repulsion energy	100.796756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2988	2876
2	A_g	1741	1676
3	A_g	1357	1306
4	A_g	1090	1049
5	A_g	554	533
6	A_u	802	772
7	A_u	124	120
8	B_g	1043	1004
9	B_u	2983	2871
10	B_u	1718	1653
11	B_u	1317	1267
12	B_u	334	321

Atom	x (Å)	y (Å)
C1	-0.333	0.689
C2	0.333	-0.689
H3	-1.449	0.682
H4	1.449	-0.682
O5	0.333	1.715
O6	-0.333	-1.715

	C1	C2	H3	H4	O5	O6
C1		1.5311	1.1158	2.2482	1.2229	2.4047
C2	1.5311		2.2482	1.1158	2.4047	1.2229
H3	1.1158	2.2482		3.2023	2.0596	2.6441
H4	2.2482	1.1158	3.2023		2.6441	2.0596
O5	1.2229	2.4047	2.0596	2.6441		3.4945
O6	2.4047	1.2229	2.6441	2.0596	3.4945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.386	C1	C2	O6	121.244
C2	C1	H3	115.386	C2	C1	O5	121.244
H3	C1	O5	123.370	H4	C2	O6	123.370

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CCSD(T)/aug-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)/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)