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	hartrees
Energy at 0K	-59.967505
Energy at 298.15K
HF Energy	-59.215848
Nuclear repulsion energy	84.456321

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	3112	2955	115.10	105.87	0.29	0.45
2	A₁	1859	1765	12.20	34.54	0.16	0.27
3	A₁	1456	1382	1.02	4.20	0.34	0.51
4	A₁	1133	1076	111.18	4.16	0.29	0.44
5	A₁	525	499	0.11	10.79	0.32	0.49
6	A₁	280	265	14.51	0.60	0.52	0.69
7	A₂	1002	951	0.00	0.89	0.75	0.86
8	A₂	169	160	0.00	0.60	0.75	0.86
9	B₁	1005	954	0.93	0.68	0.75	0.86
10	B₁	123	117	4.43	0.09	0.75	0.86
11	B₂	3092	2935	0.26	1.21	0.75	0.86
12	B₂	1788	1698	662.01	2.55	0.75	0.86
13	B₂	1394	1324	17.48	11.18	0.75	0.86
14	B₂	1080	1025	733.72	2.17	0.75	0.86
15	B₂	689	654	38.65	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.405
C2	1.186	-0.328
C3	-1.186	-0.328
O4	2.271	0.222
O5	-2.271	0.222
H6	1.034	-1.426
H7	-1.034	-1.426

	O1	C2	C3	O4	O5	H6	H7
O1		1.3941	1.3941	2.2782	2.2782	2.1030	2.1030
C2	1.3941		2.3719	1.2160	3.5001	1.1090	2.4767
C3	1.3941	2.3719		3.5001	1.2160	2.4767	1.1090
O4	2.2782	1.2160	3.5001		4.5416	2.0606	3.6927
O5	2.2782	3.5001	1.2160	4.5416		3.6927	2.0606
H6	2.1030	1.1090	2.4767	2.0606	3.6927		2.0677
H7	2.1030	2.4767	1.1090	3.6927	2.0606	2.0677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.423	O1	C2	H6	113.829
O1	C3	O5	121.423	C2	O1	C3	116.572
O4	C2	H6	124.748

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

using model chemistry: MP2/CEP-31G*

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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