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	hartrees
Energy at 0K	-302.290774
Energy at 298.15K
HF Energy	-301.480612
Nuclear repulsion energy	158.726036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	2934	90.20
2	A₁	1929	1816	25.72
3	A₁	1500	1412	0.03
4	A₁	1169	1100	112.56
5	A₁	544	512	0.93
6	A₁	283	266	13.68
7	A₂	1039	978	0.00
8	A₂	161	151	0.00
9	B₁	1047	985	2.07
10	B₁	123	116	3.66
11	B₂	3094	2913	0.06
12	B₂	1854	1745	606.58
13	B₂	1447	1362	15.78
14	B₂	1127	1061	616.34
15	B₂	706	664	38.02

Atom	y (Å)	z (Å)
O1	0.000	0.390
C2	1.180	-0.324
C3	-1.180	-0.324
O4	2.245	0.225
O5	-2.245	0.225
H6	1.037	-1.412
H7	-1.037	-1.412

	O1	C2	C3	O4	O5	H6	H7
O1		1.3794	1.3794	2.2513	2.2513	2.0787	2.0787
C2	1.3794		2.3604	1.1982	3.4691	1.0971	2.4693
C3	1.3794	2.3604		3.4691	1.1982	2.4693	1.0971
O4	2.2513	1.1982	3.4691		4.4904	2.0346	3.6674
O5	2.2513	3.4691	1.1982	4.4904		3.6674	2.0346
H6	2.0787	1.0971	2.4693	2.0346	3.6674		2.0733
H7	2.0787	2.4693	1.0971	3.6674	2.0346	2.0733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.546	O1	C2	H6	113.661
O1	C3	O5	121.546	C2	O1	C3	117.643
O4	C2	H6	124.793

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

using model chemistry: QCISD/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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