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	hartrees
Energy at 0K	-227.288193
Energy at 298.15K
HF Energy	-226.623162
Nuclear repulsion energy	100.947466

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	3028	3028	0.00	253.25	0.23	0.37
2	A_g	1720	1720	0.00	33.05	0.46	0.63
3	A_g	1368	1368	0.00	13.04	0.24	0.39
4	A_g	1104	1104	0.00	7.69	0.53	0.70
5	A_g	558	558	0.00	5.19	0.18	0.30
6	A_u	821	821	2.88	0.00	0.00	0.00
7	A_u	135	135	32.90	0.00	0.00	0.00
8	B_g	1068	1068	0.00	3.52	0.75	0.86
9	B_u	3025	3025	102.99	0.00	0.00	0.00
10	B_u	1705	1705	121.39	0.00	0.00	0.00
11	B_u	1328	1328	5.64	0.00	0.00	0.00
12	B_u	335	335	48.84	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.332	0.685
C2	0.332	-0.685
H3	-1.443	0.676
H4	1.443	-0.676
O5	0.332	1.714
O6	-0.332	-1.714

	C1	C2	H3	H4	O5	O6
C1		1.5222	1.1113	2.2367	1.2241	2.3985
C2	1.5222		2.2367	1.1113	2.3985	1.2241
H3	1.1113	2.2367		3.1873	2.0558	2.6355
H4	2.2367	1.1113	3.1873		2.6355	2.0558
O5	1.2241	2.3985	2.0558	2.6355		3.4908
O6	2.3985	1.2241	2.6355	2.0558	3.4908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.396	C1	C2	O6	121.323
C2	C1	H3	115.396	C2	C1	O5	121.323
H3	C1	O5	123.281	H4	C2	O6	123.281

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=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: MP2=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)