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	hartrees
Energy at 0K	-302.312655
Energy at 298.15K
HF Energy	-301.487440
Nuclear repulsion energy	158.248003

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	3134	2943	70.89	128.32	0.29	0.45
2	A₁	1865	1751	13.96	44.13	0.18	0.30
3	A₁	1478	1388	1.18	6.14	0.32	0.48
4	A₁	1139	1070	105.01	4.02	0.15	0.26
5	A₁	532	499	0.25	10.23	0.27	0.42
6	A₁	278	261	13.83	0.87	0.51	0.68
7	A₂	1021	959	0.00	1.01	0.75	0.86
8	A₂	164	154	0.00	0.97	0.75	0.86
9	B₁	1027	964	0.01	3.19	0.75	0.86
10	B₁	126	118	3.77	0.14	0.75	0.86
11	B₂	3113	2924	0.57	0.27	0.75	0.86
12	B₂	1790	1681	650.45	2.71	0.75	0.86
13	B₂	1423	1336	13.24	7.98	0.75	0.86
14	B₂	1086	1020	758.64	2.23	0.75	0.86
15	B₂	696	654	40.01	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.181	-0.326
C3	-1.181	-0.326
O4	2.253	0.224
O5	-2.253	0.224
H6	1.034	-1.411
H7	-1.034	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3833	1.3833	2.2590	2.2590	2.0804	2.0804
C2	1.3833		2.3629	1.2039	3.4778	1.0955	2.4674
C3	1.3833	2.3629		3.4778	1.2039	2.4674	1.0955
O4	2.2590	1.2039	3.4778		4.5052	2.0390	3.6711
O5	2.2590	3.4778	1.2039	4.5052		3.6711	2.0390
H6	2.0804	1.0955	2.4674	2.0390	3.6711		2.0686
H7	2.0804	2.4674	1.0955	3.6711	2.0390	2.0686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.501	O1	C2	H6	113.623
O1	C3	O5	121.501	C2	O1	C3	117.316
O4	C2	H6	124.877

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

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

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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