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	hartrees
Energy at 0K	-302.427209
Energy at 298.15K
HF Energy	-301.519343
Nuclear repulsion energy	157.169973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3041	2971
2	A₁	1857	1815
3	A₁	1464	1431
4	A₁	1134	1108
5	A₁	526	514
6	A₁	277	271
7	A₂	1006	983
8	A₂	162	159
9	B₁	1011	988
10	B₁	123	120
11	B₂	3020	2950
12	B₂	1784	1743
13	B₂	1408	1375
14	B₂	1070	1045
15	B₂	690	674

Atom	y (Å)	z (Å)
O1	0.000	0.411
C2	1.188	-0.326
C3	-1.188	-0.326
O4	2.267	0.217
O5	-2.267	0.217
H6	1.024	-1.425
H7	-1.024	-1.425

	O1	C2	C3	O4	O5	H6	H7
O1		1.3976	1.3976	2.2750	2.2750	2.1022	2.1022
C2	1.3976		2.3753	1.2082	3.4969	1.1113	2.4696
C3	1.3976	2.3753		3.4969	1.2082	2.4696	1.1113
O4	2.2750	1.2082	3.4969		4.5335	2.0598	3.6778
O5	2.2750	3.4969	1.2082	4.5335		3.6778	2.0598
H6	2.1022	1.1113	2.4696	2.0598	3.6778		2.0478
H7	2.1022	2.4696	1.1113	3.6778	2.0598	2.0478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.451	O1	C2	H6	113.342
O1	C3	O5	121.451	C2	O1	C3	116.367
O4	C2	H6	125.207

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

using model chemistry: MP4/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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