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	hartrees
Energy at 0K	-302.482731
Energy at 298.15K
HF Energy	-301.557013
Nuclear repulsion energy	160.438161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	3096	82.70
2	A₁	1990	1990	28.03
3	A₁	1504	1504	0.48
4	A₁	1202	1202	124.36
5	A₁	564	564	0.92
6	A₁	294	294	14.60
7	A₂	1052	1052	0.00
8	A₂	167	167	0.00
9	B₁	1056	1056	0.72
10	B₁	123	123	3.99
11	B₂	3072	3072	0.00
12	B₂	1916	1916	677.76
13	B₂	1446	1446	20.52
14	B₂	1166	1166	636.69
15	B₂	730	730	46.90

Atom	y (Å)	z (Å)
O1	0.000	0.388
C2	1.169	-0.318
C3	-1.169	-0.318
O4	2.220	0.221
O5	-2.220	0.221
H6	1.033	-1.410
H7	-1.033	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3655	1.3655	2.2263	2.2263	2.0729	2.0729
C2	1.3655		2.3379	1.1813	3.4316	1.0999	2.4576
C3	1.3655	2.3379		3.4316	1.1813	2.4576	1.0999
O4	2.2263	1.1813	3.4316		4.4401	2.0168	3.6388
O5	2.2263	3.4316	1.1813	4.4401		3.6388	2.0168
H6	2.0729	1.0999	2.4576	2.0168	3.6388		2.0659
H7	2.0729	2.4576	1.0999	3.6388	2.0168	2.0659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.728	O1	C2	H6	114.021
O1	C3	O5	121.728	C2	O1	C3	117.756
O4	C2	H6	124.251

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

using model chemistry: MP3=FULL/6-311G*

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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