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	hartrees
Energy at 0K	-302.299351
Energy at 298.15K
HF Energy	-301.474994
Nuclear repulsion energy	158.139637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3054	2930
2	A₁	1900	1822
3	A₁	1477	1417
4	A₁	1149	1102
5	A₁	536	514
6	A₁	281	270
7	A₂	1013	972
8	A₂	159	152
9	B₁	1019	977
10	B₁	122	117
11	B₂	3032	2909
12	B₂	1826	1751
13	B₂	1421	1363
14	B₂	1097	1053
15	B₂	697	669

Atom	y (Å)	z (Å)
O1	0.000	0.393
C2	1.184	-0.326
C3	-1.184	-0.326
O4	2.252	0.225
O5	-2.252	0.225
H6	1.041	-1.421
H7	-1.041	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3853	1.3853	2.2586	2.2586	2.0919	2.0919
C2	1.3853		2.3683	1.2019	3.4803	1.1046	2.4804
C3	1.3853	2.3683		3.4803	1.2019	2.4804	1.1046
O4	2.2586	1.2019	3.4803		4.5046	2.0437	3.6822
O5	2.2586	3.4803	1.2019	4.5046		3.6822	2.0437
H6	2.0919	1.1046	2.4804	2.0437	3.6822		2.0827
H7	2.0919	2.4804	1.1046	3.6822	2.0437	2.0827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.450	O1	C2	H6	113.839
O1	C3	O5	121.450	C2	O1	C3	117.470
O4	C2	H6	124.711

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

using model chemistry: QCISD(T)/6-31G*

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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