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	hartrees
Energy at 0K	-227.619913
Energy at 298.15K
HF Energy	-227.410279
Nuclear repulsion energy	101.570736

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	3017	3017	0.00	220.87	0.28	0.43
2	A_g	1797	1797	0.00	36.01	0.53	0.69
3	A_g	1396	1396	0.00	13.52	0.49	0.66
4	A_g	1095	1095	0.00	9.64	0.71	0.83
5	A_g	562	562	0.00	4.78	0.36	0.53
6	A_u	829	829	0.84	0.00	0.00	0.00
7	A_u	149	149	29.75	0.00	0.00	0.00
8	B_g	1076	1076	0.00	8.98	0.75	0.86
9	B_u	3011	3011	135.97	0.00	0.00	0.00
10	B_u	1784	1784	135.83	0.00	0.00	0.00
11	B_u	1356	1356	8.32	0.00	0.00	0.00
12	B_u	333	333	51.20	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.330	0.684
C2	0.330	-0.684
H3	-1.434	0.666
H4	1.434	-0.666
O5	0.330	1.703
O6	-0.330	-1.703

	C1	C2	H3	H4	O5	O6
C1		1.5179	1.1045	2.2212	1.2146	2.3869
C2	1.5179		2.2212	1.1045	2.3869	1.2146
H3	1.1045	2.2212		3.1627	2.0464	2.6142
H4	2.2212	1.1045	3.1627		2.6142	2.0464
O5	1.2146	2.3869	2.0464	2.6142		3.4700
O6	2.3869	1.2146	2.6142	2.0464	3.4700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.860	C1	C2	O6	121.336
C2	C1	H3	114.860	C2	C1	O5	121.336
H3	C1	O5	123.804	H4	C2	O6	123.804

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: B2PLYP=FULL/6-31G**

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=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)