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	hartrees
Energy at 0K	-227.123705
Energy at 298.15K
HF Energy	-226.590793
Nuclear repulsion energy	102.289720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3137	2905	0.00
2	A_g	1934	1791	0.00
3	A_g	1446	1339	0.00
4	A_g	1154	1068	0.00
5	A_g	591	547	0.00
6	A_u	859	795	1.06
7	A_u	151	140	37.67
8	B_g	1126	1043	0.00
9	B_u	3133	2901	104.59
10	B_u	1901	1760	178.84
11	B_u	1410	1305	13.03
12	B_u	351	325	59.69

Atom	x (Å)	y (Å)
C1	0.000	0.758
C2	0.000	-0.758
H3	0.992	1.228
H4	-0.992	-1.228
O5	-1.030	1.379
O6	1.030	-1.379

	C1	C2	H3	H4	O5	O6
C1		1.5150	1.0984	2.2199	1.2031	2.3716
C2	1.5150		2.2199	1.0984	2.3716	1.2031
H3	1.0984	2.2199		3.1580	2.0284	2.6070
H4	2.2199	1.0984	3.1580		2.6070	2.0284
O5	1.2031	2.3716	2.0284	2.6070		3.4422
O6	2.3716	1.2031	2.6070	2.0284	3.4422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.374	C1	C2	O6	121.078
C2	C1	H3	115.374	C2	C1	O5	121.078
H3	C1	O5	123.547	H4	C2	O6	123.547

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)