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	hartrees
Energy at 0K	-302.286182
Energy at 298.15K
HF Energy	-301.481293
Nuclear repulsion energy	158.951450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	2914	85.63
2	A₁	1947	1816	25.27
3	A₁	1506	1405	0.11
4	A₁	1177	1098	114.25
5	A₁	549	512	1.06
6	A₁	284	265	13.79
7	A₂	1044	974	0.00
8	A₂	161	150	0.00
9	B₁	1051	980	1.90
10	B₁	124	116	3.64
11	B₂	3102	2893	0.10
12	B₂	1872	1746	610.01
13	B₂	1453	1355	17.91
14	B₂	1142	1065	620.10
15	B₂	710	662	38.31

Atom	y (Å)	z (Å)
O1	0.000	0.389
C2	1.179	-0.324
C3	-1.179	-0.324
O4	2.242	0.225
O5	-2.242	0.225
H6	1.037	-1.411
H7	-1.037	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3773	1.3773	2.2479	2.2479	2.0773	2.0773
C2	1.3773		2.3576	1.1963	3.4644	1.0965	2.4685
C3	1.3773	2.3576		3.4644	1.1963	2.4685	1.0965
O4	2.2479	1.1963	3.4644		4.4838	2.0316	3.6646
O5	2.2479	3.4644	1.1963	4.4838		3.6646	2.0316
H6	2.0773	1.0965	2.4685	2.0316	3.6646		2.0746
H7	2.0773	2.4685	1.0965	3.6646	2.0316	2.0746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.560	O1	C2	H6	113.731
O1	C3	O5	121.560	C2	O1	C3	117.709
O4	C2	H6	124.709

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

using model chemistry: CCSD/6-31G**

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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