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	hartrees
Energy at 0K	-302.408881
Energy at 298.15K
HF Energy	-301.554789
Nuclear repulsion energy	159.441222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3058	2928	91.93
2	A₁	1924	1842	27.03
3	A₁	1481	1418	0.12
4	A₁	1168	1119	116.21
5	A₁	546	523	0.64
6	A₁	288	276	13.81
7	A₂	1031	987	0.00
8	A₂	160	153	0.00
9	B₁	1037	992	0.85
10	B₁	120	115	3.85
11	B₂	3032	2903	0.02
12	B₂	1850	1771	649.49
13	B₂	1422	1362	16.05
14	B₂	1117	1070	641.14
15	B₂	715	684	45.88

Atom	y (Å)	z (Å)
O1	0.000	0.392
C2	1.176	-0.320
C3	-1.176	-0.320
O4	2.235	0.221
O5	-2.235	0.221
H6	1.035	-1.414
H7	-1.035	-1.414

	O1	C2	C3	O4	O5	H6	H7
O1		1.3748	1.3748	2.2414	2.2414	2.0815	2.0815
C2	1.3748		2.3520	1.1888	3.4534	1.1028	2.4670
C3	1.3748	2.3520		3.4534	1.1888	2.4670	1.1028
O4	2.2414	1.1888	3.4534		4.4696	2.0273	3.6557
O5	2.2414	3.4534	1.1888	4.4696		3.6557	2.0273
H6	2.0815	1.1028	2.4670	2.0273	3.6557		2.0705
H7	2.0815	2.4670	1.1028	3.6557	2.0273	2.0705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.760	O1	C2	H6	113.860
O1	C3	O5	121.760	C2	O1	C3	117.612
O4	C2	H6	124.379

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

using model chemistry: QCISD/6-311G*

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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