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	hartrees
Energy at 0K	-300.334198
Energy at 298.15K
HF Energy	-299.773447
Nuclear repulsion energy	155.145259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3047	2899	113.37	107.70	0.27	0.42
2	A₁	1773	1686	9.68	6.13	0.12	0.21
3	A₁	1517	1443	1.33	5.54	0.38	0.55
4	A₁	1060	1009	97.57	7.79	0.21	0.34
5	A₁	522	497	0.95	12.95	0.37	0.54
6	A₁	263	251	8.27	0.61	0.59	0.74
7	A₂	1066	1014	0.00	1.49	0.75	0.86
8	A₂	175	167	0.00	0.47	0.75	0.86
9	B₁	1060	1009	0.33	3.82	0.75	0.86
10	B₁	117	111	2.02	0.10	0.75	0.86
11	B₂	3028	2881	2.55	1.79	0.75	0.86
12	B₂	1678	1596	416.30	0.66	0.75	0.86
13	B₂	1473	1401	4.80	18.81	0.75	0.86
14	B₂	1020	970	624.71	2.03	0.75	0.86
15	B₂	697	663	37.02	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.415
C2	1.209	-0.328
C3	-1.209	-0.328
O4	2.305	0.214
O5	-2.305	0.214
H6	1.029	-1.411
H7	-1.029	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.4190	1.4190	2.3138	2.3138	2.0961	2.0961
C2	1.4190		2.4181	1.2228	3.5557	1.0981	2.4866
C3	1.4190	2.4181		3.5557	1.2228	2.4866	1.0981
O4	2.3138	1.2228	3.5557		4.6102	2.0663	3.7093
O5	2.3138	3.5557	1.2228	4.6102		3.7093	2.0663
H6	2.0961	1.0981	2.4866	2.0663	3.7093		2.0583
H7	2.0961	2.4866	1.0981	3.7093	2.0663	2.0583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.116	O1	C2	H6	112.136
O1	C3	O5	122.116	C2	O1	C3	116.868
O4	C2	H6	125.748

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

using model chemistry: MP2/3-21G*

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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