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	hartrees
Energy at 0K	-302.685001
Energy at 298.15K
HF Energy	-301.598122
Nuclear repulsion energy	158.552450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3024	2943
2	A₁	1822	1773
3	A₁	1420	1382
4	A₁	1121	1091
5	A₁	525	511
6	A₁	274	267
7	A₂	994	968
8	A₂	162	157
9	B₁	1004	977
10	B₁	121	118
11	B₂	3002	2922
12	B₂	1745	1698
13	B₂	1365	1329
14	B₂	1043	1015
15	B₂	691	673

Atom	y (Å)	z (Å)
O1	0.000	0.405
C2	1.177	-0.323
C3	-1.177	-0.323
O4	2.248	0.216
O5	-2.248	0.216
H6	1.017	-1.411
H7	-1.017	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3841	1.3841	2.2558	2.2558	2.0816	2.0816
C2	1.3841		2.3550	1.1984	3.4675	1.1003	2.4500
C3	1.3841	2.3550		3.4675	1.1984	2.4500	1.1003
O4	2.2558	1.1984	3.4675		4.4958	2.0404	3.6484
O5	2.2558	3.4675	1.1984	4.4958		3.6484	2.0404
H6	2.0816	1.1003	2.4500	2.0404	3.6484		2.0348
H7	2.0816	2.4500	1.1003	3.6484	2.0404	2.0348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.565	O1	C2	H6	113.342
O1	C3	O5	121.565	C2	O1	C3	116.582
O4	C2	H6	125.094

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

using model chemistry: MP4/aug-cc-pVTZ

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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