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	hartrees
Energy at 0K	-302.354504
Energy at 298.15K
HF Energy	-301.487448
Nuclear repulsion energy	158.175125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3102	3102
2	A₁	1880	1880
3	A₁	1472	1472
4	A₁	1137	1137
5	A₁	532	532
6	A₁	275	275
7	A₂	1008	1008
8	A₂	155	155
9	B₁	1015	1015
10	B₁	121	121
11	B₂	3081	3081
12	B₂	1801	1801
13	B₂	1418	1418
14	B₂	1085	1085
15	B₂	692	692

Atom	y (Å)	z (Å)
O1	0.000	0.395
C2	1.183	-0.326
C3	-1.183	-0.326
O4	2.253	0.224
O5	-2.253	0.224
H6	1.039	-1.414
H7	-1.039	-1.414

	O1	C2	C3	O4	O5	H6	H7
O1		1.3852	1.3852	2.2595	2.2595	2.0856	2.0856
C2	1.3852		2.3661	1.2029	3.4798	1.0972	2.4742
C3	1.3852	2.3661		3.4798	1.2029	2.4742	1.0972
O4	2.2595	1.2029	3.4798		4.5060	2.0383	3.6769
O5	2.2595	3.4798	1.2029	4.5060		3.6769	2.0383
H6	2.0856	1.0972	2.4742	2.0383	3.6769		2.0783
H7	2.0856	2.4742	1.0972	3.6769	2.0383	2.0783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.466	O1	C2	H6	113.807
O1	C3	O5	121.466	C2	O1	C3	117.314
O4	C2	H6	124.727

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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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