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	hartrees
Energy at 0K	-302.276357
Energy at 298.15K
HF Energy	-301.482098
Nuclear repulsion energy	159.247364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2937	84.56
2	A₁	1970	1847	24.08
3	A₁	1514	1420	0.17
4	A₁	1188	1114	117.38
5	A₁	554	520	1.20
6	A₁	287	269	13.82
7	A₂	1051	985	0.00
8	A₂	162	152	0.00
9	B₁	1057	991	1.95
10	B₁	125	117	3.56
11	B₂	3110	2916	0.11
12	B₂	1897	1779	612.88
13	B₂	1460	1369	20.24
14	B₂	1158	1086	622.87
15	B₂	715	671	38.96

Atom	y (Å)	z (Å)
O1	0.000	0.387
C2	1.177	-0.323
C3	-1.177	-0.323
O4	2.237	0.225
O5	-2.237	0.225
H6	1.037	-1.410
H7	-1.037	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3746	1.3746	2.2432	2.2432	2.0754	2.0754
C2	1.3746		2.3540	1.1937	3.4581	1.0963	2.4670
C3	1.3746	2.3540		3.4581	1.1937	2.4670	1.0963
O4	2.2432	1.1937	3.4581		4.4748	2.0286	3.6606
O5	2.2432	3.4581	1.1937	4.4748		3.6606	2.0286
H6	2.0754	1.0963	2.4670	2.0286	3.6606		2.0749
H7	2.0754	2.4670	1.0963	3.6606	2.0286	2.0749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.557	O1	C2	H6	113.789
O1	C3	O5	121.557	C2	O1	C3	117.794
O4	C2	H6	124.654

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

using model chemistry: CCD/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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