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	hartrees
Energy at 0K	-227.321447
Energy at 298.15K
HF Energy	-226.623068
Nuclear repulsion energy	100.773693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2978	2978
2	A_g	1741	1741
3	A_g	1357	1357
4	A_g	1086	1086
5	A_g	552	552
6	A_u	804	804
7	A_u	124	124
8	B_g	1047	1047
9	B_u	2974	2974
10	B_u	1716	1716
11	B_u	1317	1317
12	B_u	332	332

Atom	x (Å)	y (Å)
C1	-0.333	0.690
C2	0.333	-0.690
H3	-1.449	0.682
H4	1.449	-0.682
O5	0.333	1.716
O6	-0.333	-1.716

	C1	C2	H3	H4	O5	O6
C1		1.5321	1.1157	2.2483	1.2230	2.4057
C2	1.5321		2.2483	1.1157	2.4057	1.2230
H3	1.1157	2.2483		3.2019	2.0600	2.6443
H4	2.2483	1.1157	3.2019		2.6443	2.0600
O5	1.2230	2.4057	2.0600	2.6443		3.4956
O6	2.4057	1.2230	2.6443	2.0600	3.4956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.331	C1	C2	O6	121.257
C2	C1	H3	115.331	C2	C1	O5	121.257
H3	C1	O5	123.412	H4	C2	O6	123.412

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: QCISD(T)/daug-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: QCISD(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)