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	hartrees
Energy at 0K	-302.756706
Energy at 298.15K
HF Energy	-301.601904
Nuclear repulsion energy	159.769796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3051	3051
2	A₁	1889	1889
3	A₁	1447	1447
4	A₁	1150	1150
5	A₁	543	543
6	A₁	282	282
7	A₂	1038	1038
8	A₂	189	189
9	B₁	1038	1038
10	B₁	129	129
11	B₂	3027	3027
12	B₂	1810	1810
13	B₂	1386	1386
14	B₂	1089	1089
15	B₂	707	707

Atom	y (Å)	z (Å)
O1	0.000	0.399
C2	1.170	-0.319
C3	-1.170	-0.319
O4	2.231	0.216
O5	-2.231	0.216
H6	1.015	-1.403
H7	-1.015	-1.403

	O1	C2	C3	O4	O5	H6	H7
O1		1.3725	1.3725	2.2387	2.2387	2.0676	2.0676
C2	1.3725		2.3391	1.1889	3.4426	1.0943	2.4380
C3	1.3725	2.3391		3.4426	1.1889	2.4380	1.0943
O4	2.2387	1.1889	3.4426		4.4624	2.0246	3.6268
O5	2.2387	3.4426	1.1889	4.4624		3.6268	2.0246
H6	2.0676	1.0943	2.4380	2.0246	3.6268		2.0291
H7	2.0676	2.4380	1.0943	3.6268	2.0246	2.0291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.696	O1	C2	H6	113.416
O1	C3	O5	121.696	C2	O1	C3	116.884
O4	C2	H6	124.888

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

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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