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	hartrees
Energy at 0K	-302.650392
Energy at 298.15K
HF Energy	-301.596124
Nuclear repulsion energy	159.295985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3045	2888
2	A₁	1893	1795
3	A₁	1463	1388
4	A₁	1155	1096
5	A₁	549	521
6	A₁	297	282
7	A₂	1021	969
8	A₂	191	181
9	B₁	1030	977
10	B₁	129	122
11	B₂	3023	2868
12	B₂	1812	1719
13	B₂	1400	1328
14	B₂	1089	1033
15	B₂	713	676

Atom	y (Å)	z (Å)
O1	0.000	0.404
C2	1.172	-0.320
C3	-1.172	-0.320
O4	2.238	0.214
O5	-2.238	0.214
H6	1.013	-1.407
H7	-1.013	-1.407

	O1	C2	C3	O4	O5	H6	H7
O1		1.3775	1.3775	2.2459	2.2459	2.0744	2.0744
C2	1.3775		2.3445	1.1919	3.4517	1.0984	2.4406
C3	1.3775	2.3445		3.4517	1.1919	2.4406	1.0984
O4	2.2459	1.1919	3.4517		4.4757	2.0316	3.6325
O5	2.2459	3.4517	1.1919	4.4757		3.6325	2.0316
H6	2.0744	1.0984	2.4406	2.0316	3.6325		2.0259
H7	2.0744	2.4406	1.0984	3.6325	2.0316	2.0259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.705	O1	C2	H6	113.343
O1	C3	O5	121.705	C2	O1	C3	116.637
O4	C2	H6	124.952

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

using model chemistry: QCISD(T)/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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