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	hartrees
Energy at 0K	-302.454551
Energy at 298.15K
HF Energy	-301.615134
Nuclear repulsion energy	161.765918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3187	66.41
2	A₁	2030	2030	38.96
3	A₁	1538	1538	0.48
4	A₁	1241	1241	123.90
5	A₁	579	579	1.11
6	A₁	297	297	16.37
7	A₂	1105	1105	0.00
8	A₂	182	182	0.00
9	B₁	1117	1117	1.09
10	B₁	131	131	5.49
11	B₂	3162	3162	1.68
12	B₂	1946	1946	801.23
13	B₂	1477	1477	13.13
14	B₂	1205	1205	694.37
15	B₂	754	754	49.25

Atom	y (Å)	z (Å)
O1	0.000	0.377
C2	1.162	-0.315
C3	-1.162	-0.315
O4	2.203	0.222
O5	-2.203	0.222
H6	1.025	-1.395
H7	-1.025	-1.395

	O1	C2	C3	O4	O5	H6	H7
O1		1.3525	1.3525	2.2088	2.2088	2.0472	2.0472
C2	1.3525		2.3233	1.1723	3.4077	1.0878	2.4389
C3	1.3525	2.3233		3.4077	1.1723	2.4389	1.0878
O4	2.2088	1.1723	3.4077		4.4067	2.0005	3.6111
O5	2.2088	3.4077	1.1723	4.4067		3.6111	2.0005
H6	2.0472	1.0878	2.4389	2.0005	3.6111		2.0509
H7	2.0472	2.4389	1.0878	3.6111	2.0005	2.0509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.892	O1	C2	H6	113.612
O1	C3	O5	121.892	C2	O1	C3	118.391
O4	C2	H6	124.496

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

using model chemistry: CISD/Def2TZVPP

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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