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	hartrees
Energy at 0K	-302.755333
Energy at 298.15K
HF Energy	-301.610991
Nuclear repulsion energy	159.647043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3046	3046
2	A₁	1892	1892
3	A₁	1460	1460
4	A₁	1156	1156
5	A₁	544	544
6	A₁	284	284
7	A₂	1019	1019
8	A₂	177	177
9	B₁	1029	1029
10	B₁	125	125
11	B₂	3024	3024
12	B₂	1814	1814
13	B₂	1398	1398
14	B₂	1091	1091
15	B₂	710	710

Atom	y (Å)	z (Å)
O1	0.000	0.401
C2	1.171	-0.320
C3	-1.171	-0.320
O4	2.232	0.215
O5	-2.232	0.215
H6	1.014	-1.405
H7	-1.014	-1.405

	O1	C2	C3	O4	O5	H6	H7
O1		1.3749	1.3749	2.2401	2.2401	2.0708	2.0708
C2	1.3749		2.3420	1.1886	3.4452	1.0960	2.4399
C3	1.3749	2.3420		3.4452	1.1886	2.4399	1.0960
O4	2.2401	1.1886	3.4452		4.4648	2.0266	3.6285
O5	2.2401	3.4452	1.1886	4.4648		3.6285	2.0266
H6	2.0708	1.0960	2.4399	2.0266	3.6285		2.0290
H7	2.0708	2.4399	1.0960	3.6285	2.0266	2.0290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.646	O1	C2	H6	113.395
O1	C3	O5	121.646	C2	O1	C3	116.792
O4	C2	H6	124.959

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

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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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