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	hartrees
Energy at 0K	-302.455791
Energy at 298.15K
HF Energy	-301.509477
Nuclear repulsion energy	159.467420

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	3085	2914	67.99	99.79	0.27	0.42
2	A₁	1900	1794	17.16	25.01	0.17	0.28
3	A₁	1478	1396	0.64	4.70	0.32	0.49
4	A₁	1161	1096	98.63	3.45	0.18	0.30
5	A₁	543	513	0.65	9.00	0.29	0.45
6	A₁	286	270	12.05	0.55	0.52	0.68
7	A₂	1041	983	0.00	0.89	0.75	0.86
8	A₂	182	172	0.00	0.25	0.75	0.86
9	B₁	1047	989	0.33	2.91	0.75	0.86
10	B₁	128	121	4.40	0.10	0.75	0.86
11	B₂	3064	2894	0.19	0.66	0.75	0.86
12	B₂	1823	1722	545.81	2.52	0.75	0.86
13	B₂	1412	1334	9.08	8.25	0.75	0.86
14	B₂	1104	1043	627.81	1.92	0.75	0.86
15	B₂	709	670	34.34	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.400
C2	1.170	-0.320
C3	-1.170	-0.320
O4	2.236	0.216
O5	-2.236	0.216
H6	1.008	-1.407
H7	-1.008	-1.407

	O1	C2	C3	O4	O5	H6	H7
O1		1.3737	1.3737	2.2431	2.2431	2.0696	2.0696
C2	1.3737		2.3402	1.1923	3.4474	1.0997	2.4348
C3	1.3737	2.3402		3.4474	1.1923	2.4348	1.0997
O4	2.2431	1.1923	3.4474		4.4711	2.0347	3.6271
O5	2.2431	3.4474	1.1923	4.4711		3.6271	2.0347
H6	2.0696	1.0997	2.4348	2.0347	3.6271		2.0165
H7	2.0696	2.4348	1.0997	3.6271	2.0347	2.0165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.737	O1	C2	H6	113.130
O1	C3	O5	121.737	C2	O1	C3	116.815
O4	C2	H6	125.133

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

using model chemistry: MP2/6-31G(2df,p)

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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