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	hartrees
Energy at 0K	-302.432836
Energy at 298.15K
HF Energy	-301.521207
Nuclear repulsion energy	157.197772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3027	3027
2	A₁	1800	1800
3	A₁	1410	1410
4	A₁	1101	1101
5	A₁	514	514
6	A₁	275	275
7	A₂	976	976
8	A₂	175	175
9	B₁	988	988
10	B₁	125	125
11	B₂	3007	3007
12	B₂	1724	1724
13	B₂	1357	1357
14	B₂	1007	1007
15	B₂	679	679

Atom	y (Å)	z (Å)
O1	0.000	0.412
C2	1.187	-0.326
C3	-1.187	-0.326
O4	2.267	0.216
O5	-2.267	0.216
H6	1.022	-1.424
H7	-1.022	-1.424

	O1	C2	C3	O4	O5	H6	H7
O1		1.3974	1.3974	2.2752	2.2752	2.1010	2.1010
C2	1.3974		2.3741	1.2081	3.4961	1.1109	2.4670
C3	1.3974	2.3741		3.4961	1.2081	2.4670	1.1109
O4	2.2752	1.2081	3.4961		4.5336	2.0594	3.6750
O5	2.2752	3.4961	1.2081	4.5336		3.6750	2.0594
H6	2.1010	1.1109	2.4670	2.0594	3.6750		2.0436
H7	2.1010	2.4670	1.1109	3.6750	2.0594	2.0436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.507	O1	C2	H6	113.287
O1	C3	O5	121.507	C2	O1	C3	116.316
O4	C2	H6	125.206

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

using model chemistry: MP4/daug-cc-pVDZ

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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