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	hartrees
Energy at 0K	-300.376544
Energy at 298.15K
HF Energy	-299.770398
Nuclear repulsion energy	154.433569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2964	2901
2	A₁	1742	1705
3	A₁	1478	1447
4	A₁	1033	1011
5	A₁	508	497
6	A₁	260	255
7	A₂	1034	1012
8	A₂	176	172
9	B₁	1029	1007
10	B₁	116	113
11	B₂	2944	2882
12	B₂	1644	1610
13	B₂	1433	1403
14	B₂	985	964
15	B₂	681	667

Atom	y (Å)	z (Å)
O1	0.000	0.423
C2	1.213	-0.329
C3	-1.213	-0.329
O4	2.315	0.212
O5	-2.315	0.212
H6	1.026	-1.417
H7	-1.026	-1.417

	O1	C2	C3	O4	O5	H6	H7
O1		1.4274	1.4274	2.3250	2.3250	2.1072	2.1072
C2	1.4274		2.4267	1.2274	3.5698	1.1046	2.4899
C3	1.4274	2.4267		3.5698	1.2274	2.4899	1.1046
O4	2.3250	1.2274	3.5698		4.6307	2.0776	3.7174
O5	2.3250	3.5698	1.2274	4.6307		3.7174	2.0776
H6	2.1072	1.1046	2.4899	2.0776	3.7174		2.0521
H7	2.1072	2.4899	1.1046	3.7174	2.0776	2.0521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.085	O1	C2	H6	112.026
O1	C3	O5	122.085	C2	O1	C3	116.424
O4	C2	H6	125.889

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

using model chemistry: MP4=FULL/3-21G

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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