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	hartrees
Energy at 0K	-302.314072
Energy at 298.15K
HF Energy	-301.479357
Nuclear repulsion energy	158.354376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3094	2935
2	A₁	1906	1808
3	A₁	1486	1410
4	A₁	1154	1095
5	A₁	538	510
6	A₁	280	266
7	A₂	1021	969
8	A₂	162	153
9	B₁	1028	975
10	B₁	123	117
11	B₂	3073	2915
12	B₂	1831	1737
13	B₂	1434	1360
14	B₂	1106	1049
15	B₂	698	662

Atom	y (Å)	z (Å)
O1	0.000	0.395
C2	1.182	-0.325
C3	-1.182	-0.325
O4	2.251	0.223
O5	-2.251	0.223
H6	1.033	-1.413
H7	-1.033	-1.413

	O1	C2	C3	O4	O5	H6	H7
O1		1.3837	1.3837	2.2572	2.2572	2.0828	2.0828
C2	1.3837		2.3632	1.2011	3.4756	1.0985	2.4677
C3	1.3837	2.3632		3.4756	1.2011	2.4677	1.0985
O4	2.2572	1.2011	3.4756		4.5013	2.0393	3.6687
O5	2.2572	3.4756	1.2011	4.5013		3.6687	2.0393
H6	2.0828	1.0985	2.4677	2.0393	3.6687		2.0663
H7	2.0828	2.4677	1.0985	3.6687	2.0393	2.0663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.526	O1	C2	H6	113.590
O1	C3	O5	121.526	C2	O1	C3	117.288
O4	C2	H6	124.884

All results from a given calculation for CHOOCHO (diformyl ether)

using model chemistry: CCSD(T)/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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