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	hartrees
Energy at 0K	-302.288021
Energy at 298.15K
HF Energy	-301.483040
Nuclear repulsion energy	159.685837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3152	81.59
2	A₁	1993	1993	26.72
3	A₁	1523	1523	0.24
4	A₁	1200	1200	119.78
5	A₁	561	561	1.24
6	A₁	289	289	14.42
7	A₂	1061	1061	0.00
8	A₂	170	170	0.00
9	B₁	1066	1066	1.90
10	B₁	128	128	3.81
11	B₂	3131	3131	0.18
12	B₂	1919	1919	634.52
13	B₂	1470	1470	20.09
14	B₂	1173	1173	612.50
15	B₂	721	721	39.56

Atom	y (Å)	z (Å)
O1	0.000	0.386
C2	1.173	-0.322
C3	-1.173	-0.322
O4	2.231	0.225
O5	-2.231	0.225
H6	1.035	-1.408
H7	-1.035	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3705	1.3705	2.2369	2.2369	2.0704	2.0704
C2	1.3705		2.3467	1.1908	3.4481	1.0941	2.4602
C3	1.3705	2.3467		3.4481	1.1908	2.4602	1.0941
O4	2.2369	1.1908	3.4481		4.4621	2.0238	3.6508
O5	2.2369	3.4481	1.1908	4.4621		3.6508	2.0238
H6	2.0704	1.0941	2.4602	2.0238	3.6508		2.0690
H7	2.0704	2.4602	1.0941	3.6508	2.0238	2.0690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.543	O1	C2	H6	113.824
O1	C3	O5	121.543	C2	O1	C3	117.775
O4	C2	H6	124.633

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

using model chemistry: MP3=FULL/6-31G**

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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