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	hartrees
Energy at 0K	-301.918546
Energy at 298.15K
HF Energy	-301.357454
Nuclear repulsion energy	152.986647

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	3068	2962	113.90	133.20	0.26	0.42
2	A₁	1674	1616	6.57	14.96	0.11	0.19
3	A₁	1425	1375	3.33	8.01	0.29	0.45
4	A₁	988	954	95.58	6.02	0.34	0.51
5	A₁	480	463	0.10	16.81	0.35	0.52
6	A₁	242	234	12.38	0.60	0.63	0.78
7	A₂	968	935	0.00	0.52	0.75	0.86
8	A₂	157	151	0.00	0.73	0.75	0.86
9	B₁	970	936	1.11	1.05	0.75	0.86
10	B₁	121	117	1.69	0.05	0.75	0.86
11	B₂	3052	2946	0.09	2.01	0.75	0.86
12	B₂	1595	1540	537.88	1.55	0.75	0.86
13	B₂	1384	1336	16.55	16.89	0.75	0.86
14	B₂	944	911	824.37	2.79	0.75	0.86
15	B₂	639	616	52.06	0.05	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.396
C2	1.237	-0.342
C3	-1.237	-0.342
O4	2.332	0.238
O5	-2.332	0.238
H6	1.091	-1.437
H7	-1.091	-1.437

	O1	C2	C3	O4	O5	H6	H7
O1		1.4404	1.4404	2.3372	2.3372	2.1327	2.1327
C2	1.4404		2.4749	1.2385	3.6161	1.1052	2.5731
C3	1.4404	2.4749		3.6161	1.2385	2.5731	1.1052
O4	2.3372	1.2385	3.6161		4.6637	2.0848	3.8106
O5	2.3372	3.6161	1.2385	4.6637		3.8106	2.0848
H6	2.1327	1.1052	2.5731	2.0848	3.8106		2.1817
H7	2.1327	2.5731	1.1052	3.8106	2.0848	2.1817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.307	O1	C2	H6	113.159
O1	C3	O5	121.307	C2	O1	C3	118.434
O4	C2	H6	125.534

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

using model chemistry: MP2/SDD

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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