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	hartrees
Energy at 0K	-302.505883
Energy at 298.15K
HF Energy	-301.512288
Nuclear repulsion energy	160.536394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2910	65.56
2	A₁	1967	1852	26.69
3	A₁	1503	1416	0.00
4	A₁	1192	1122	105.72
5	A₁	561	528	1.00
6	A₁	293	276	13.46
7	A₂	1078	1015	0.00
8	A₂	190	179	0.00
9	B₁	1076	1013	1.05
10	B₁	130	122	4.65
11	B₂	3066	2887	0.12
12	B₂	1888	1778	624.32
13	B₂	1442	1358	11.83
14	B₂	1159	1091	597.78
15	B₂	724	681	38.66

Atom	y (Å)	z (Å)
O1	0.000	0.393
C2	1.164	-0.316
C3	-1.164	-0.316
O4	2.221	0.216
O5	-2.221	0.216
H6	1.013	-1.403
H7	-1.013	-1.403

	O1	C2	C3	O4	O5	H6	H7
O1		1.3629	1.3629	2.2280	2.2280	2.0622	2.0622
C2	1.3629		2.3284	1.1831	3.4267	1.0980	2.4339
C3	1.3629	2.3284		3.4267	1.1831	2.4339	1.0980
O4	2.2280	1.1831	3.4267		4.4420	2.0203	3.6169
O5	2.2280	3.4267	1.1831	4.4420		3.6169	2.0203
H6	2.0622	1.0980	2.4339	2.0203	3.6169		2.0262
H7	2.0622	2.4339	1.0980	3.6169	2.0203	2.0262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.955	O1	C2	H6	113.419
O1	C3	O5	121.955	C2	O1	C3	117.343
O4	C2	H6	124.626

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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