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	hartrees
Energy at 0K	-302.561620
Energy at 298.15K
HF Energy	-301.555340
Nuclear repulsion energy	158.593812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3029	2913
2	A₁	1854	1783
3	A₁	1447	1391
4	A₁	1134	1090
5	A₁	530	509
6	A₁	280	270
7	A₂	1018	978
8	A₂	182	175
9	B₁	1020	981
10	B₁	124	119
11	B₂	3006	2890
12	B₂	1779	1711
13	B₂	1399	1345
14	B₂	1058	1017
15	B₂	697	670

Atom	y (Å)	z (Å)
O1	0.000	0.409
C2	1.177	-0.320
C3	-1.177	-0.320
O4	2.249	0.212
O5	-2.249	0.212
H6	1.006	-1.411
H7	-1.006	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3842	1.3842	2.2576	2.2576	2.0797	2.0797
C2	1.3842		2.3538	1.1965	3.4668	1.1049	2.4406
C3	1.3842	2.3538		3.4668	1.1965	2.4406	1.1049
O4	2.2576	1.1965	3.4668		4.4979	2.0442	3.6371
O5	2.2576	3.4668	1.1965	4.4979		3.6371	2.0442
H6	2.0797	1.1049	2.4406	2.0442	3.6371		2.0120
H7	2.0797	2.4406	1.1049	3.6371	2.0442	2.0120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.873	O1	C2	H6	112.865
O1	C3	O5	121.873	C2	O1	C3	116.477
O4	C2	H6	125.262

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

using model chemistry: MP4=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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