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	hartrees
Energy at 0K	-302.297571
Energy at 298.15K
HF Energy	-301.475314
Nuclear repulsion energy	158.240445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3057	2941
2	A₁	1904	1832
3	A₁	1480	1424
4	A₁	1153	1110
5	A₁	537	516
6	A₁	281	271
7	A₂	1015	977
8	A₂	159	153
9	B₁	1021	982
10	B₁	122	118
11	B₂	3035	2920
12	B₂	1829	1760
13	B₂	1423	1369
14	B₂	1105	1063
15	B₂	699	672

Atom	y (Å)	z (Å)
O1	0.000	0.392
C2	1.183	-0.326
C3	-1.183	-0.326
O4	2.251	0.226
O5	-2.251	0.226
H6	1.042	-1.421
H7	-1.042	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3841	1.3841	2.2570	2.2570	2.0910	2.0910
C2	1.3841		2.3667	1.2013	3.4781	1.1044	2.4798
C3	1.3841	2.3667		3.4781	1.2013	2.4798	1.1044
O4	2.2570	1.2013	3.4781		4.5016	2.0427	3.6810
O5	2.2570	3.4781	1.2013	4.5016		3.6810	2.0427
H6	2.0910	1.1044	2.4798	2.0427	3.6810		2.0830
H7	2.0910	2.4798	1.1044	3.6810	2.0427	2.0830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.450	O1	C2	H6	113.867
O1	C3	O5	121.450	C2	O1	C3	117.512
O4	C2	H6	124.683

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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