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	hartrees
Energy at 0K	-302.593800
Energy at 298.15K
HF Energy	-301.598642
Nuclear repulsion energy	160.857801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	3097	56.80
2	A₁	1978	1978	28.11
3	A₁	1490	1490	0.16
4	A₁	1202	1202	107.56
5	A₁	565	565	0.89
6	A₁	291	291	15.27
7	A₂	1053	1053	0.00
8	A₂	182	182	0.00
9	B₁	1061	1061	0.09
10	B₁	131	131	5.04
11	B₂	3075	3075	1.15
12	B₂	1899	1899	730.16
13	B₂	1431	1431	16.75
14	B₂	1160	1160	676.86
15	B₂	732	732	46.90

Atom	y (Å)	z (Å)
O1	0.000	0.386
C2	1.165	-0.318
C3	-1.165	-0.318
O4	2.214	0.222
O5	-2.214	0.222
H6	1.025	-1.406
H7	-1.025	-1.406

	O1	C2	C3	O4	O5	H6	H7
O1		1.3616	1.3616	2.2198	2.2198	2.0637	2.0637
C2	1.3616		2.3308	1.1793	3.4220	1.0962	2.4452
C3	1.3616	2.3308		3.4220	1.1793	2.4452	1.0962
O4	2.2198	1.1793	3.4220		4.4275	2.0153	3.6244
O5	2.2198	3.4220	1.1793	4.4275		3.6244	2.0153
H6	2.0637	1.0962	2.4452	2.0153	3.6244		2.0498
H7	2.0637	2.4452	1.0962	3.6244	2.0153	2.0498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.605	O1	C2	H6	113.775
O1	C3	O5	121.605	C2	O1	C3	117.722
O4	C2	H6	124.621

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

using model chemistry: MP3/6-311+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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