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	hartrees
Energy at 0K	-302.432338
Energy at 298.15K
HF Energy	-301.521853
Nuclear repulsion energy	157.818410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3048	2957
2	A₁	1850	1794
3	A₁	1423	1380
4	A₁	1124	1090
5	A₁	523	507
6	A₁	276	268
7	A₂	992	963
8	A₂	169	164
9	B₁	1002	972
10	B₁	124	120
11	B₂	3027	2937
12	B₂	1768	1716
13	B₂	1369	1328
14	B₂	1044	1012
15	B₂	688	667

Atom	y (Å)	z (Å)
O1	0.000	0.407
C2	1.183	-0.325
C3	-1.183	-0.325
O4	2.257	0.218
O5	-2.257	0.218
H6	1.027	-1.423
H7	-1.027	-1.423

	O1	C2	C3	O4	O5	H6	H7
O1		1.3914	1.3914	2.2646	2.2646	2.0989	2.0989
C2	1.3914		2.3665	1.2028	3.4825	1.1096	2.4679
C3	1.3914	2.3665		3.4825	1.2028	2.4679	1.1096
O4	2.2646	1.2028	3.4825		4.5134	2.0510	3.6707
O5	2.2646	3.4825	1.2028	4.5134		3.6707	2.0510
H6	2.0989	1.1096	2.4679	2.0510	3.6707		2.0533
H7	2.0989	2.4679	1.1096	3.6707	2.0510	2.0533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.435	O1	C2	H6	113.636
O1	C3	O5	121.435	C2	O1	C3	116.505
O4	C2	H6	124.929

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

using model chemistry: QCISD(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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