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	hartrees
Energy at 0K	-302.731666
Energy at 298.15K
HF Energy	-301.595842
Nuclear repulsion energy	159.273460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3051	2938
2	A₁	1858	1790
3	A₁	1465	1410
4	A₁	1143	1101
5	A₁	538	518
6	A₁	287	276
7	A₂	1031	993
8	A₂	204	197
9	B₁	1037	998
10	B₁	134	129
11	B₂	3031	2919
12	B₂	1780	1714
13	B₂	1402	1350
14	B₂	1071	1031
15	B₂	710	683

Atom	y (Å)	z (Å)
O1	0.000	0.406
C2	1.171	-0.319
C3	-1.171	-0.319
O4	2.240	0.211
O5	-2.240	0.211
H6	1.006	-1.400
H7	-1.006	-1.400

	O1	C2	C3	O4	O5	H6	H7
O1		1.3772	1.3772	2.2485	2.2485	2.0678	2.0678
C2	1.3772		2.3414	1.1935	3.4517	1.0941	2.4303
C3	1.3772	2.3414		3.4517	1.1935	2.4303	1.0941
O4	2.2485	1.1935	3.4517		4.4801	2.0300	3.6238
O5	2.2485	3.4517	1.1935	4.4801		3.6238	2.0300
H6	2.0678	1.0941	2.4303	2.0300	3.6238		2.0114
H7	2.0678	2.4303	1.0941	3.6238	2.0300	2.0114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.855	O1	C2	H6	113.102
O1	C3	O5	121.855	C2	O1	C3	116.443
O4	C2	H6	125.043

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

using model chemistry: MP4=FULL/cc-pVTZ

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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