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	hartrees
Energy at 0K	-302.506164
Energy at 298.15K
HF Energy	-301.509724
Nuclear repulsion energy	159.493415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3061	3061
2	A₁	1914	1914
3	A₁	1478	1478
4	A₁	1164	1164
5	A₁	546	546
6	A₁	286	286
7	A₂	1034	1034
8	A₂	178	178
9	B₁	1041	1041
10	B₁	126	126
11	B₂	3039	3039
12	B₂	1835	1835
13	B₂	1412	1412
14	B₂	1111	1111
15	B₂	707	707

Atom	y (Å)	z (Å)
O1	0.000	0.400
C2	1.171	-0.320
C3	-1.171	-0.320
O4	2.234	0.216
O5	-2.234	0.216
H6	1.013	-1.409
H7	-1.013	-1.409

	O1	C2	C3	O4	O5	H6	H7
O1		1.3743	1.3743	2.2420	2.2420	2.0737	2.0737
C2	1.3743		2.3416	1.1910	3.4471	1.1011	2.4407
C3	1.3743	2.3416		3.4471	1.1910	2.4407	1.1011
O4	2.2420	1.1910	3.4471		4.4688	2.0332	3.6316
O5	2.2420	3.4471	1.1910	4.4688		3.6316	2.0332
H6	2.0737	1.1011	2.4407	2.0332	3.6316		2.0262
H7	2.0737	2.4407	1.1011	3.6316	2.0332	2.0262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.686	O1	C2	H6	113.344
O1	C3	O5	121.686	C2	O1	C3	116.845
O4	C2	H6	124.970

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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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