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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	2908	113.37	107.70	0.27	0.42
2	A₁	1773	1692	9.68	6.13	0.12	0.21
3	A₁	1517	1448	1.33	5.54	0.38	0.55
4	A₁	1060	1012	97.57	7.79	0.21	0.34
5	A₁	522	498	0.95	12.95	0.37	0.54
6	A₁	263	251	8.27	0.61	0.59	0.74
7	A₂	1066	1017	0.00	1.49	0.75	0.86
8	A₂	175	167	0.00	0.47	0.75	0.86
9	B₁	1060	1012	0.33	3.82	0.75	0.86
10	B₁	117	112	2.02	0.10	0.75	0.86
11	B₂	3028	2890	2.55	1.79	0.75	0.86
12	B₂	1678	1601	416.30	0.66	0.75	0.86
13	B₂	1473	1406	4.80	18.81	0.75	0.86
14	B₂	1020	973	624.71	2.03	0.75	0.86
15	B₂	697	665	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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