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	hartrees
Energy at 0K	-302.652493
Energy at 298.15K
HF Energy	-301.595324
Nuclear repulsion energy	159.470719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3042	2902
2	A₁	1886	1799
3	A₁	1449	1382
4	A₁	1150	1097
5	A₁	537	512
6	A₁	278	265
7	A₂	1014	967
8	A₂	175	167
9	B₁	1022	975
10	B₁	128	122
11	B₂	3021	2881
12	B₂	1806	1722
13	B₂	1392	1328
14	B₂	1086	1035
15	B₂	706	674

Atom	y (Å)	z (Å)
O1	0.000	0.396
C2	1.173	-0.321
C3	-1.173	-0.321
O4	2.234	0.219
O5	-2.234	0.219
H6	1.022	-1.410
H7	-1.022	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3753	1.3753	2.2410	2.2410	2.0759	2.0759
C2	1.3753		2.3466	1.1901	3.4498	1.0999	2.4508
C3	1.3753	2.3466		3.4498	1.1901	2.4508	1.0999
O4	2.2410	1.1901	3.4498		4.4679	2.0305	3.6409
O5	2.2410	3.4498	1.1901	4.4679		3.6409	2.0305
H6	2.0759	1.0999	2.4508	2.0305	3.6409		2.0441
H7	2.0759	2.4508	1.0999	3.6409	2.0305	2.0441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.582	O1	C2	H6	113.540
O1	C3	O5	121.582	C2	O1	C3	117.110
O4	C2	H6	124.878

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

using model chemistry: QCISD(T)/6-311+G(3df,2p)

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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