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	hartrees
Energy at 0K	-227.156331
Energy at 298.15K
HF Energy	-226.610916
Nuclear repulsion energy	102.296728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3108	2872	0.00
2	A_g	1941	1794	0.00
3	A_g	1433	1324	0.00
4	A_g	1144	1057	0.00
5	A_g	590	545	0.00
6	A_u	867	801	0.27
7	A_u	156	144	31.56
8	B_g	1135	1049	0.00
9	B_u	3102	2866	123.93
10	B_u	1911	1766	198.33
11	B_u	1384	1279	12.51
12	B_u	345	319	54.92

Atom	x (Å)	y (Å)
C1	-0.327	0.686
C2	0.327	-0.686
H3	-1.435	0.670
H4	1.435	-0.670
O5	0.327	1.691
O6	-0.327	-1.691

	C1	C2	H3	H4	O5	O6
C1		1.5203	1.1087	2.2234	1.1981	2.3769
C2	1.5203		2.2234	1.1087	2.3769	1.1981
H3	1.1087	2.2234		3.1676	2.0364	2.6075
H4	2.2234	1.1087	3.1676		2.6075	2.0364
O5	1.1981	2.3769	2.0364	2.6075		3.4436
O6	2.3769	1.1981	2.6075	2.0364	3.4436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.592	C1	C2	O6	121.491
C2	C1	H3	114.592	C2	C1	O5	121.491
H3	C1	O5	123.917	H4	C2	O6	123.917

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: CID/cc-pVDZ

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: CID/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)