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	hartrees
Energy at 0K	-302.757316
Energy at 298.15K
HF Energy	-301.610701
Nuclear repulsion energy	159.539950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3043	3043
2	A₁	1890	1890
3	A₁	1457	1457
4	A₁	1152	1152
5	A₁	543	543
6	A₁	282	282
7	A₂	1017	1017
8	A₂	177	177
9	B₁	1027	1027
10	B₁	125	125
11	B₂	3022	3022
12	B₂	1810	1810
13	B₂	1396	1396
14	B₂	1083	1083
15	B₂	708	708

Atom	y (Å)	z (Å)
O1	0.000	0.402
C2	1.172	-0.320
C3	-1.172	-0.320
O4	2.234	0.215
O5	-2.234	0.215
H6	1.014	-1.405
H7	-1.014	-1.405

	O1	C2	C3	O4	O5	H6	H7
O1		1.3762	1.3762	2.2418	2.2418	2.0718	2.0718
C2	1.3762		2.3435	1.1893	3.4474	1.0962	2.4402
C3	1.3762	2.3435		3.4474	1.1893	2.4402	1.0962
O4	2.2418	1.1893	3.4474		4.4679	2.0276	3.6295
O5	2.2418	3.4474	1.1893	4.4679		3.6295	2.0276
H6	2.0718	1.0962	2.4402	2.0276	3.6295		2.0282
H7	2.0718	2.4402	1.0962	3.6295	2.0276	2.0282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.638	O1	C2	H6	113.369
O1	C3	O5	121.638	C2	O1	C3	116.730
O4	C2	H6	124.994

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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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