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	hartrees
Energy at 0K	-302.754700
Energy at 298.15K
HF Energy	-301.602154
Nuclear repulsion energy	159.872854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3054	2943
2	A₁	1894	1825
3	A₁	1450	1397
4	A₁	1155	1113
5	A₁	545	525
6	A₁	282	272
7	A₂	1040	1002
8	A₂	189	182
9	B₁	1040	1002
10	B₁	130	125
11	B₂	3029	2919
12	B₂	1815	1749
13	B₂	1389	1339
14	B₂	1096	1057
15	B₂	709	683

Atom	y (Å)	z (Å)
O1	0.000	0.398
C2	1.169	-0.319
C3	-1.169	-0.319
O4	2.230	0.216
O5	-2.230	0.216
H6	1.015	-1.402
H7	-1.015	-1.402

	O1	C2	C3	O4	O5	H6	H7
O1		1.3713	1.3713	2.2372	2.2372	2.0667	2.0667
C2	1.3713		2.3376	1.1882	3.4404	1.0941	2.4374
C3	1.3713	2.3376		3.4404	1.1882	2.4374	1.0941
O4	2.2372	1.1882	3.4404		4.4595	2.0236	3.6256
O5	2.2372	3.4404	1.1882	4.4595		3.6256	2.0236
H6	2.0667	1.0941	2.4374	2.0236	3.6256		2.0294
H7	2.0667	2.4374	1.0941	3.6256	2.0236	2.0294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.706	O1	C2	H6	113.438
O1	C3	O5	121.706	C2	O1	C3	116.932
O4	C2	H6	124.856

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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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