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	hartrees
Energy at 0K	-302.490092
Energy at 298.15K
HF Energy	-301.553892
Nuclear repulsion energy	159.193007

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	3082	2919	93.05	120.38	0.27	0.43
2	A₁	1892	1792	17.38	24.20	0.19	0.32
3	A₁	1478	1400	0.26	3.65	0.32	0.49
4	A₁	1156	1095	114.40	4.00	0.28	0.44
5	A₁	540	511	0.50	9.96	0.34	0.51
6	A₁	285	270	12.49	0.77	0.49	0.66
7	A₂	1029	975	0.00	1.47	0.75	0.86
8	A₂	171	162	0.00	0.49	0.75	0.86
9	B₁	1033	978	0.17	2.74	0.75	0.86
10	B₁	123	117	3.75	0.14	0.75	0.86
11	B₂	3058	2896	0.10	1.03	0.75	0.86
12	B₂	1819	1723	587.69	3.04	0.75	0.86
13	B₂	1419	1344	11.72	9.36	0.75	0.86
14	B₂	1094	1037	682.68	1.87	0.75	0.86
15	B₂	711	674	42.00	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.396
C2	1.176	-0.320
C3	-1.176	-0.320
O4	2.240	0.218
O5	-2.240	0.218
H6	1.026	-1.410
H7	-1.026	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3766	1.3766	2.2467	2.2467	2.0772	2.0772
C2	1.3766		2.3519	1.1922	3.4578	1.1005	2.4574
C3	1.3766	2.3519		3.4578	1.1922	2.4574	1.1005
O4	2.2467	1.1922	3.4578		4.4794	2.0309	3.6496
O5	2.2467	3.4578	1.1922	4.4794		3.6496	2.0309
H6	2.0772	1.1005	2.4574	2.0309	3.6496		2.0527
H7	2.0772	2.4574	1.1005	3.6496	2.0309	2.0527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.838	O1	C2	H6	113.509
O1	C3	O5	121.838	C2	O1	C3	117.355
O4	C2	H6	124.653

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

using model chemistry: MP2=FULL/6-311G*

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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