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	hartrees
Energy at 0K	-302.367446
Energy at 298.15K
HF Energy	-301.499860
Nuclear repulsion energy	158.024393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3027	2921
2	A₁	1865	1800
3	A₁	1431	1381
4	A₁	1141	1102
5	A₁	530	511
6	A₁	281	271
7	A₂	1012	977
8	A₂	186	180
9	B₁	1015	980
10	B₁	124	120
11	B₂	3004	2899
12	B₂	1788	1726
13	B₂	1385	1337
14	B₂	1061	1024
15	B₂	696	672

Atom	y (Å)	z (Å)
O1	0.000	0.413
C2	1.178	-0.320
C3	-1.178	-0.320
O4	2.256	0.211
O5	-2.256	0.211
H6	1.002	-1.421
H7	-1.002	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3876	1.3876	2.2654	2.2654	2.0898	2.0898
C2	1.3876		2.3563	1.2021	3.4754	1.1153	2.4421
C3	1.3876	2.3563		3.4754	1.2021	2.4421	1.1153
O4	2.2654	1.2021	3.4754		4.5128	2.0592	3.6442
O5	2.2654	3.4754	1.2021	4.5128		3.6442	2.0592
H6	2.0898	1.1153	2.4421	2.0592	3.6442		2.0032
H7	2.0898	2.4421	1.1153	3.6442	2.0592	2.0032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.871	O1	C2	H6	112.777
O1	C3	O5	121.871	C2	O1	C3	116.226
O4	C2	H6	125.352

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

using model chemistry: MP4=FULL/cc-pVDZ

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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