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	hartrees
Energy at 0K	-302.316700
Energy at 298.15K
HF Energy	-301.475473
Nuclear repulsion energy	158.290138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3054	3054
2	A₁	1905	1905
3	A₁	1479	1479
4	A₁	1152	1152
5	A₁	538	538
6	A₁	281	281
7	A₂	1017	1017
8	A₂	162	162
9	B₁	1022	1022
10	B₁	123	123
11	B₂	3032	3032
12	B₂	1830	1830
13	B₂	1422	1422
14	B₂	1101	1101
15	B₂	700	700

Atom	y (Å)	z (Å)
O1	0.000	0.393
C2	1.183	-0.325
C3	-1.183	-0.325
O4	2.250	0.225
O5	-2.250	0.225
H6	1.040	-1.420
H7	-1.040	-1.420

	O1	C2	C3	O4	O5	H6	H7
O1		1.3835	1.3835	2.2567	2.2567	2.0898	2.0898
C2	1.3835		2.3655	1.2009	3.4769	1.1044	2.4776
C3	1.3835	2.3655		3.4769	1.2009	2.4776	1.1044
O4	2.2567	1.2009	3.4769		4.5009	2.0425	3.6784
O5	2.2567	3.4769	1.2009	4.5009		3.6784	2.0425
H6	2.0898	1.1044	2.4776	2.0425	3.6784		2.0793
H7	2.0898	2.4776	1.1044	3.6784	2.0425	2.0793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.503	O1	C2	H6	113.807
O1	C3	O5	121.503	C2	O1	C3	117.496
O4	C2	H6	124.690

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

using model chemistry: QCISD(T)=FULL/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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