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	hartrees
Energy at 0K	-302.430446
Energy at 298.15K
HF Energy	-301.522183
Nuclear repulsion energy	157.922310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3050	2962
2	A₁	1852	1799
3	A₁	1426	1385
4	A₁	1128	1095
5	A₁	528	513
6	A₁	279	271
7	A₂	995	966
8	A₂	171	166
9	B₁	1004	975
10	B₁	124	121
11	B₂	3029	2942
12	B₂	1774	1723
13	B₂	1372	1332
14	B₂	1052	1021
15	B₂	690	670

Atom	y (Å)	z (Å)
O1	0.000	0.406
C2	1.182	-0.325
C3	-1.182	-0.325
O4	2.255	0.218
O5	-2.255	0.218
H6	1.027	-1.423
H7	-1.027	-1.423

	O1	C2	C3	O4	O5	H6	H7
O1		1.3901	1.3901	2.2630	2.2630	2.0980	2.0980
C2	1.3901		2.3648	1.2022	3.4801	1.1095	2.4673
C3	1.3901	2.3648		3.4801	1.2022	2.4673	1.1095
O4	2.2630	1.2022	3.4801		4.5103	2.0500	3.6695
O5	2.2630	3.4801	1.2022	4.5103		3.6695	2.0500
H6	2.0980	1.1095	2.4673	2.0500	3.6695		2.0537
H7	2.0980	2.4673	1.1095	3.6695	2.0500	2.0537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.442	O1	C2	H6	113.665
O1	C3	O5	121.442	C2	O1	C3	116.553
O4	C2	H6	124.893

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

using model chemistry: CCSD(T)=FULL/aug-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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