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	hartrees
Energy at 0K	-302.767439
Energy at 298.15K
HF Energy	-301.596402
Nuclear repulsion energy	159.873009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3055	3055
2	A₁	1898	1898
3	A₁	1457	1457
4	A₁	1160	1160
5	A₁	545	545
6	A₁	283	283
7	A₂	1020	1020
8	A₂	175	175
9	B₁	1029	1029
10	B₁	129	129
11	B₂	3033	3033
12	B₂	1820	1820
13	B₂	1400	1400
14	B₂	1103	1103
15	B₂	712	712

Atom	y (Å)	z (Å)
O1	0.000	0.393
C2	1.171	-0.320
C3	-1.171	-0.320
O4	2.229	0.219
O5	-2.229	0.219
H6	1.021	-1.408
H7	-1.021	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3705	1.3705	2.2355	2.2355	2.0705	2.0705
C2	1.3705		2.3410	1.1876	3.4417	1.0983	2.4471
C3	1.3705	2.3410		3.4417	1.1876	2.4471	1.0983
O4	2.2355	1.1876	3.4417		4.4575	2.0261	3.6346
O5	2.2355	3.4417	1.1876	4.4575		3.6346	2.0261
H6	2.0705	1.0983	2.4471	2.0261	3.6346		2.0428
H7	2.0705	2.4471	1.0983	3.6346	2.0261	2.0428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.664	O1	C2	H6	113.542
O1	C3	O5	121.664	C2	O1	C3	117.308
O4	C2	H6	124.794

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

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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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