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	hartrees
Energy at 0K	-302.573980
Energy at 298.15K
HF Energy	-301.584348
Nuclear repulsion energy	159.158135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3057	2923
2	A₁	1887	1804
3	A₁	1480	1415
4	A₁	1151	1100
5	A₁	540	517
6	A₁	282	269
7	A₂	1013	969
8	A₂	160	153
9	B₁	1016	971
10	B₁	117	112
11	B₂	3035	2901
12	B₂	1810	1730
13	B₂	1432	1369
14	B₂	1084	1036
15	B₂	711	680

Atom	y (Å)	z (Å)
O1	0.000	0.399
C2	1.176	-0.322
C3	-1.176	-0.322
O4	2.238	0.218
O5	-2.238	0.218
H6	1.024	-1.410
H7	-1.024	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3793	1.3793	2.2456	2.2456	2.0789	2.0789
C2	1.3793		2.3520	1.1920	3.4569	1.0989	2.4545
C3	1.3793	2.3520		3.4569	1.1920	2.4545	1.0989
O4	2.2456	1.1920	3.4569		4.4768	2.0317	3.6464
O5	2.2456	3.4569	1.1920	4.4768		3.6464	2.0317
H6	2.0789	1.0989	2.4545	2.0317	3.6464		2.0481
H7	2.0789	2.4545	1.0989	3.6464	2.0317	2.0481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.529	O1	C2	H6	113.557
O1	C3	O5	121.529	C2	O1	C3	116.988
O4	C2	H6	124.914

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

using model chemistry: CCSD(T)=FULL/TZVP

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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