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	hartrees
Energy at 0K	-227.379515
Energy at 298.15K
HF Energy	-226.647368
Nuclear repulsion energy	101.585904

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	3018	2863	0.00	261.08	0.27	0.42
2	A_g	1763	1672	0.00	23.92	0.72	0.84
3	A_g	1399	1327	0.00	15.48	0.41	0.58
4	A_g	1101	1044	0.00	7.92	0.62	0.76
5	A_g	565	536	0.00	5.45	0.34	0.51
6	A_u	839	795	1.02	0.00	0.00	0.00
7	A_u	150	142	26.94	0.00	0.00	0.00
8	B_g	1081	1026	0.00	7.86	0.75	0.86
9	B_u	3013	2858	145.17	0.00	0.30	0.46
10	B_u	1749	1659	104.19	0.00	0.70	0.82
11	B_u	1352	1282	7.15	0.00	0.00	0.00
12	B_u	333	316	48.39	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.328	0.685
C2	0.328	-0.685
H3	-1.434	0.666
H4	1.434	-0.666
O5	0.328	1.705
O6	-0.328	-1.705

	C1	C2	H3	H4	O5	O6
C1		1.5200	1.1063	2.2210	1.2124	2.3900
C2	1.5200		2.2210	1.1063	2.3900	1.2124
H3	1.1063	2.2210		3.1628	2.0462	2.6156
H4	2.2210	1.1063	3.1628		2.6156	2.0462
O5	1.2124	2.3900	2.0462	2.6156		3.4718
O6	2.3900	1.2124	2.6156	2.0462	3.4718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.575	C1	C2	O6	121.605
C2	C1	H3	114.575	C2	C1	O5	121.605
H3	C1	O5	123.820	H4	C2	O6	123.820

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/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=FULL/6-311G**

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)