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	hartrees
Energy at 0K	-302.311423
Energy at 298.15K
HF Energy	-301.504499
Nuclear repulsion energy	159.416692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2943	89.61
2	A₁	1971	1886	25.71
3	A₁	1475	1411	0.68
4	A₁	1195	1143	120.49
5	A₁	556	532	0.96
6	A₁	290	278	13.02
7	A₂	1046	1001	0.00
8	A₂	176	169	0.00
9	B₁	1050	1005	1.48
10	B₁	124	118	3.87
11	B₂	3051	2919	0.00
12	B₂	1896	1814	653.43
13	B₂	1426	1364	23.45
14	B₂	1148	1098	611.77
15	B₂	721	690	38.35

Atom	y (Å)	z (Å)
O1	0.000	0.399
C2	1.171	-0.319
C3	-1.171	-0.319
O4	2.235	0.217
O5	-2.235	0.217
H6	1.014	-1.420
H7	-1.014	-1.420

	O1	C2	C3	O4	O5	H6	H7
O1		1.3739	1.3739	2.2420	2.2420	2.0826	2.0826
C2	1.3739		2.3430	1.1902	3.4479	1.1122	2.4474
C3	1.3739	2.3430		3.4479	1.1902	2.4474	1.1122
O4	2.2420	1.1902	3.4479		4.4692	2.0412	3.6376
O5	2.2420	3.4479	1.1902	4.4692		3.6376	2.0412
H6	2.0826	1.1122	2.4474	2.0412	3.6376		2.0284
H7	2.0826	2.4474	1.1122	3.6376	2.0412	2.0284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.779	O1	C2	H6	113.371
O1	C3	O5	121.779	C2	O1	C3	117.000
O4	C2	H6	124.850

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

using model chemistry: CCD/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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