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	hartrees
Energy at 0K	-59.608380
Energy at 298.15K
HF Energy	-59.045652
Nuclear repulsion energy	82.130302

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	3028	2956	101.95	149.07	0.26	0.42
2	A₁	1655	1615	6.70	19.01	0.10	0.18
3	A₁	1419	1385	1.76	7.34	0.25	0.40
4	A₁	997	973	91.47	6.64	0.33	0.49
5	A₁	473	462	0.11	17.87	0.34	0.51
6	A₁	239	233	12.25	0.66	0.54	0.70
7	A₂	956	933	0.00	0.92	0.75	0.86
8	A₂	154	150	0.00	0.72	0.75	0.86
9	B₁	955	932	0.99	2.57	0.75	0.86
10	B₁	117	115	1.72	0.09	0.75	0.86
11	B₂	3011	2939	0.22	1.42	0.75	0.86
12	B₂	1578	1540	522.51	2.19	0.75	0.86
13	B₂	1379	1345	17.56	14.78	0.75	0.86
14	B₂	936	914	813.47	3.60	0.75	0.86
15	B₂	635	619	47.95	0.06	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.399
C2	1.240	-0.346
C3	-1.240	-0.346
O4	2.337	0.240
O5	-2.337	0.240
H6	1.097	-1.441
H7	-1.097	-1.441

	O1	C2	C3	O4	O5	H6	H7
O1		1.4458	1.4458	2.3424	2.3424	2.1424	2.1424
C2	1.4458		2.4793	1.2438	3.6243	1.1052	2.5812
C3	1.4458	2.4793		3.6243	1.2438	2.5812	1.1052
O4	2.3424	1.2438	3.6243		4.6741	2.0891	3.8239
O5	2.3424	3.6243	1.2438	4.6741		3.8239	2.0891
H6	2.1424	1.1052	2.5812	2.0891	3.8239		2.1947
H7	2.1424	2.5812	1.1052	3.8239	2.0891	2.1947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	120.944	O1	C2	H6	113.576
O1	C3	O5	120.944	C2	O1	C3	118.053
O4	C2	H6	125.479

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

using model chemistry: MP2/CEP-121G

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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