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	hartrees
Energy at 0K	-302.361573
Energy at 298.15K
HF Energy	-301.501572
Nuclear repulsion energy	158.464844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3040	2915
2	A₁	1903	1825
3	A₁	1444	1385
4	A₁	1156	1108
5	A₁	537	515
6	A₁	282	271
7	A₂	1018	977
8	A₂	181	174
9	B₁	1023	981
10	B₁	124	119
11	B₂	3015	2892
12	B₂	1826	1752
13	B₂	1397	1340
14	B₂	1088	1044
15	B₂	703	674

Atom	y (Å)	z (Å)
O1	0.000	0.409
C2	1.176	-0.320
C3	-1.176	-0.320
O4	2.249	0.213
O5	-2.249	0.213
H6	1.007	-1.421
H7	-1.007	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3838	1.3838	2.2576	2.2576	2.0890	2.0890
C2	1.3838		2.3524	1.1980	3.4665	1.1141	2.4453
C3	1.3838	2.3524		3.4665	1.1980	2.4453	1.1141
O4	2.2576	1.1980	3.4665		4.4981	2.0525	3.6433
O5	2.2576	3.4665	1.1980	4.4981		3.6433	2.0525
H6	2.0890	1.1141	2.4453	2.0525	3.6433		2.0144
H7	2.0890	2.4453	1.1141	3.6433	2.0525	2.0144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.789	O1	C2	H6	113.066
O1	C3	O5	121.789	C2	O1	C3	116.415
O4	C2	H6	125.145

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

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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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