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	hartrees
Energy at 0K	-302.592471
Energy at 298.15K
HF Energy	-301.599588
Nuclear repulsion energy	160.701294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3099	2928	67.29
2	A₁	1981	1871	26.95
3	A₁	1498	1415	0.16
4	A₁	1206	1139	112.21
5	A₁	566	535	0.89
6	A₁	293	277	14.68
7	A₂	1058	999	0.00
8	A₂	185	175	0.00
9	B₁	1067	1008	0.23
10	B₁	129	122	5.04
11	B₂	3077	2907	0.54
12	B₂	1902	1797	681.38
13	B₂	1437	1357	14.48
14	B₂	1164	1099	643.06
15	B₂	734	693	43.14

Atom	y (Å)	z (Å)
O1	0.000	0.392
C2	1.164	-0.317
C3	-1.164	-0.317
O4	2.217	0.217
O5	-2.217	0.217
H6	1.017	-1.402
H7	-1.017	-1.402

	O1	C2	C3	O4	O5	H6	H7
O1		1.3634	1.3634	2.2242	2.2242	2.0622	2.0622
C2	1.3634		2.3287	1.1810	3.4236	1.0947	2.4360
C3	1.3634	2.3287		3.4236	1.1810	2.4360	1.0947
O4	2.2242	1.1810	3.4236		4.4346	2.0159	3.6170
O5	2.2242	3.4236	1.1810	4.4346		3.6170	2.0159
H6	2.0622	1.0947	2.4360	2.0159	3.6170		2.0337
H7	2.0622	2.4360	1.0947	3.6170	2.0159	2.0337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.724	O1	C2	H6	113.609
O1	C3	O5	121.724	C2	O1	C3	117.297
O4	C2	H6	124.667

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

using model chemistry: MP3/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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