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	hartrees
Energy at 0K	-227.704399
Energy at 298.15K
HF Energy	-227.467235
Nuclear repulsion energy	101.805803

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	2985	2985	0.00	270.47	0.28	0.44
2	A_g	1790	1790	0.00	41.55	0.64	0.78
3	A_g	1394	1394	0.00	14.36	0.46	0.63
4	A_g	1081	1081	0.00	9.80	0.71	0.83
5	A_g	559	559	0.00	5.23	0.35	0.52
6	A_u	824	824	1.03	0.00	0.00	0.00
7	A_u	145	145	29.52	0.00	0.00	0.00
8	B_g	1075	1075	0.00	8.88	0.75	0.86
9	B_u	2979	2979	167.47	0.00	0.30	0.46
10	B_u	1778	1778	163.11	0.00	0.00	0.00
11	B_u	1349	1349	6.50	0.00	0.00	0.00
12	B_u	335	335	51.30	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.327	0.688
C2	0.327	-0.688
H3	-1.433	0.673
H4	1.433	-0.673
O5	0.327	1.701
O6	-0.327	-1.701

	C1	C2	H3	H4	O5	O6
C1		1.5231	1.1060	2.2251	1.2064	2.3890
C2	1.5231		2.2251	1.1060	2.3890	1.2064
H3	1.1060	2.2251		3.1668	2.0383	2.6196
H4	2.2251	1.1060	3.1668		2.6196	2.0383
O5	1.2064	2.3890	2.0383	2.6196		3.4648
O6	2.3890	1.2064	2.6196	2.0383	3.4648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.702	C1	C2	O6	121.715
C2	C1	H3	114.702	C2	C1	O5	121.715
H3	C1	O5	123.583	H4	C2	O6	123.583

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)