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	hartrees
Energy at 0K	-227.775806
Energy at 298.15K
HF Energy	-227.499548
Nuclear repulsion energy	102.024317

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	2988	2866	0.00	258.11	0.23	0.38
2	A_g	1774	1702	0.00	53.61	0.44	0.61
3	A_g	1387	1331	0.00	10.52	0.27	0.42
4	A_g	1085	1041	0.00	8.79	0.68	0.81
5	A_g	557	534	0.00	4.52	0.18	0.31
6	A_u	826	792	2.08	0.00	0.00	0.00
7	A_u	129	123	34.73	0.00	0.00	0.00
8	B_g	1091	1046	0.00	3.68	0.75	0.86
9	B_u	2983	2862	112.13	0.00	0.23	0.38
10	B_u	1765	1693	177.96	0.00	0.41	0.58
11	B_u	1348	1293	6.23	0.00	0.23	0.38
12	B_u	339	325	51.30	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.328	0.684
C2	0.328	-0.684
H3	-1.429	0.673
H4	1.429	-0.673
O5	0.328	1.696
O6	-0.328	-1.696

	C1	C2	H3	H4	O5	O6
C1		1.5174	1.1008	2.2200	1.2059	2.3805
C2	1.5174		2.2200	1.1008	2.3805	1.2059
H3	1.1008	2.2200		3.1587	2.0327	2.6128
H4	2.2200	1.1008	3.1587		2.6128	2.0327
O5	1.2059	2.3805	2.0327	2.6128		3.4554
O6	2.3805	1.2059	2.6128	2.0327	3.4554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.037	C1	C2	O6	121.459
C2	C1	H3	115.037	C2	C1	O5	121.459
H3	C1	O5	123.504	H4	C2	O6	123.504

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)