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	hartrees
Energy at 0K	-302.687767
Energy at 298.15K
HF Energy	-301.598646
Nuclear repulsion energy	158.549432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3024	3024
2	A₁	1822	1822
3	A₁	1422	1422
4	A₁	1121	1121
5	A₁	525	525
6	A₁	277	277
7	A₂	988	988
8	A₂	172	172
9	B₁	1000	1000
10	B₁	123	123
11	B₂	3004	3004
12	B₂	1744	1744
13	B₂	1365	1365
14	B₂	1042	1042
15	B₂	692	692

Atom	y (Å)	z (Å)
O1	0.000	0.405
C2	1.177	-0.323
C3	-1.177	-0.323
O4	2.248	0.216
O5	-2.248	0.216
H6	1.016	-1.412
H7	-1.016	-1.412

	O1	C2	C3	O4	O5	H6	H7
O1		1.3843	1.3843	2.2557	2.2557	2.0818	2.0818
C2	1.3843		2.3545	1.1985	3.4672	1.1004	2.4489
C3	1.3843	2.3545		3.4672	1.1985	2.4489	1.1004
O4	2.2557	1.1985	3.4672		4.4955	2.0409	3.6474
O5	2.2557	3.4672	1.1985	4.4955		3.6474	2.0409
H6	2.0818	1.1004	2.4489	2.0409	3.6474		2.0327
H7	2.0818	2.4489	1.1004	3.6474	2.0409	2.0327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.531	O1	C2	H6	113.333
O1	C3	O5	121.531	C2	O1	C3	116.516
O4	C2	H6	125.137

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

using model chemistry: MP4/daug-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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