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	hartrees
Energy at 0K	-302.662917
Energy at 298.15K
HF Energy	-301.593426
Nuclear repulsion energy	158.913605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3031	2860
2	A₁	1837	1734
3	A₁	1434	1353
4	A₁	1129	1066
5	A₁	529	499
6	A₁	279	263
7	A₂	1001	945
8	A₂	177	167
9	B₁	1009	952
10	B₁	128	120
11	B₂	3010	2841
12	B₂	1760	1661
13	B₂	1377	1300
14	B₂	1053	994
15	B₂	698	658

Atom	y (Å)	z (Å)
O1	0.000	0.401
C2	1.176	-0.322
C3	-1.176	-0.322
O4	2.243	0.217
O5	-2.243	0.217
H6	1.018	-1.411
H7	-1.018	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3801	1.3801	2.2502	2.2502	2.0783	2.0783
C2	1.3801		2.3520	1.1952	3.4609	1.1009	2.4497
C3	1.3801	2.3520		3.4609	1.1952	2.4497	1.1009
O4	2.2502	1.1952	3.4609		4.4854	2.0377	3.6449
O5	2.2502	3.4609	1.1952	4.4854		3.6449	2.0377
H6	2.0783	1.1009	2.4497	2.0377	3.6449		2.0362
H7	2.0783	2.4497	1.1009	3.6449	2.0377	2.0362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.623	O1	C2	H6	113.315
O1	C3	O5	121.623	C2	O1	C3	116.877
O4	C2	H6	125.062

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

using model chemistry: MP4/6-311+G(3df,2p)

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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