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	hartrees
Energy at 0K	-227.290090
Energy at 298.15K
HF Energy	-226.643598
Nuclear repulsion energy	101.482860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3019	2869	0.00	253.98	0.28	0.43
2	A_g	1759	1672	0.00	23.71	0.72	0.84
3	A_g	1398	1328	0.00	15.25	0.42	0.59
4	A_g	1101	1046	0.00	7.84	0.63	0.77
5	A_g	565	537	0.00	5.51	0.34	0.51
6	A_u	829	788	1.91	0.00	0.00	0.00
7	A_u	149	142	28.13	0.00	0.00	0.00
8	B_g	1074	1020	0.00	8.31	0.75	0.86
9	B_u	3014	2864	142.44	0.00	0.31	0.47
10	B_u	1743	1657	105.02	0.00	0.70	0.82
11	B_u	1354	1287	5.81	0.00	0.00	0.00
12	B_u	335	318	49.33	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.329	0.686
C2	0.329	-0.686
H3	-1.435	0.673
H4	1.435	-0.673
O5	0.329	1.706
O6	-0.329	-1.706

	C1	C2	H3	H4	O5	O6
C1		1.5208	1.1063	2.2262	1.2140	2.3920
C2	1.5208		2.2262	1.1063	2.3920	1.2140
H3	1.1063	2.2262		3.1697	2.0441	2.6238
H4	2.2262	1.1063	3.1697		2.6238	2.0441
O5	1.2140	2.3920	2.0441	2.6238		3.4754
O6	2.3920	1.2140	2.6238	2.0441	3.4754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.945	C1	C2	O6	121.608
C2	C1	H3	114.945	C2	C1	O5	121.608
H3	C1	O5	123.448	H4	C2	O6	123.448

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2/6-311G*

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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All results from a given calculation for C2H2O2 (Ethanedial)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)