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	hartrees
Energy at 0K	-302.292367
Energy at 298.15K
HF Energy	-301.479550
Nuclear repulsion energy	158.484720

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	3124	2919	89.68	109.64	0.26	0.42
2	A₁	1897	1773	16.08	22.96	0.18	0.31
3	A₁	1493	1395	0.43	4.68	0.31	0.47
4	A₁	1155	1080	110.57	4.98	0.23	0.38
5	A₁	538	503	0.77	9.72	0.35	0.52
6	A₁	281	263	12.43	0.79	0.56	0.72
7	A₂	1037	969	0.00	1.52	0.75	0.86
8	A₂	173	162	0.00	0.51	0.75	0.86
9	B₁	1042	974	0.89	3.64	0.75	0.86
10	B₁	128	120	3.65	0.10	0.75	0.86
11	B₂	3104	2900	0.01	1.20	0.75	0.86
12	B₂	1823	1704	547.18	3.02	0.75	0.86
13	B₂	1439	1344	12.27	10.65	0.75	0.86
14	B₂	1104	1032	653.41	2.20	0.75	0.86
15	B₂	702	656	33.99	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.395
C2	1.179	-0.324
C3	-1.179	-0.324
O4	2.250	0.221
O5	-2.250	0.221
H6	1.026	-1.409
H7	-1.026	-1.409

	O1	C2	C3	O4	O5	H6	H7
O1		1.3813	1.3813	2.2567	2.2567	2.0760	2.0760
C2	1.3813		2.3588	1.2015	3.4725	1.0962	2.4583
C3	1.3813	2.3588		3.4725	1.2015	2.4583	1.0962
O4	2.2567	1.2015	3.4725		4.5000	2.0389	3.6596
O5	2.2567	3.4725	1.2015	4.5000		3.6596	2.0389
H6	2.0760	1.0962	2.4583	2.0389	3.6596		2.0524
H7	2.0760	2.4583	1.0962	3.6596	2.0389	2.0524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.634	O1	C2	H6	113.338
O1	C3	O5	121.634	C2	O1	C3	117.257
O4	C2	H6	125.027

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

using model chemistry: MP2=FULL/6-31G**

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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