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	hartrees
Energy at 0K	-302.293319
Energy at 298.15K
HF Energy	-301.486944
Nuclear repulsion energy	158.093165

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	3132	2946	70.91	128.89	0.29	0.45
2	A₁	1860	1750	13.89	43.98	0.18	0.30
3	A₁	1474	1387	1.16	6.16	0.31	0.48
4	A₁	1137	1070	104.80	4.07	0.15	0.26
5	A₁	530	499	0.24	10.30	0.27	0.42
6	A₁	278	261	13.83	0.87	0.51	0.68
7	A₂	1017	957	0.00	1.01	0.75	0.86
8	A₂	161	151	0.00	0.96	0.75	0.86
9	B₁	1023	962	0.01	3.21	0.75	0.86
10	B₁	124	116	3.74	0.14	0.75	0.86
11	B₂	3112	2927	0.54	0.29	0.75	0.86
12	B₂	1786	1680	648.10	2.73	0.75	0.86
13	B₂	1419	1335	13.47	8.03	0.75	0.86
14	B₂	1082	1017	759.73	2.27	0.75	0.86
15	B₂	695	653	40.27	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.183	-0.326
C3	-1.183	-0.326
O4	2.255	0.224
O5	-2.255	0.224
H6	1.036	-1.413
H7	-1.036	-1.413

	O1	C2	C3	O4	O5	H6	H7
O1		1.3850	1.3850	2.2610	2.2610	2.0827	2.0827
C2	1.3850		2.3656	1.2049	3.4812	1.0963	2.4701
C3	1.3850	2.3656		3.4812	1.2049	2.4701	1.0963
O4	2.2610	1.2049	3.4812		4.5091	2.0409	3.6748
O5	2.2610	3.4812	1.2049	4.5091		3.6748	2.0409
H6	2.0827	1.0963	2.4701	2.0409	3.6748		2.0711
H7	2.0827	2.4701	1.0963	3.6748	2.0409	2.0711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.460	O1	C2	H6	113.632
O1	C3	O5	121.460	C2	O1	C3	117.296
O4	C2	H6	124.908

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

using model chemistry: MP2/6-31+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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