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	hartrees
Energy at 0K	-300.342634
Energy at 298.15K
HF Energy	-299.775312
Nuclear repulsion energy	155.609255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3009	2892	100.94
2	A₁	1815	1745	15.77
3	A₁	1509	1450	0.04
4	A₁	1066	1025	97.26
5	A₁	528	507	1.18
6	A₁	264	254	9.33
7	A₂	1053	1012	0.00
8	A₂	162	156	0.00
9	B₁	1049	1009	1.07
10	B₁	113	108	1.83
11	B₂	2988	2872	4.20
12	B₂	1726	1659	456.52
13	B₂	1463	1406	6.26
14	B₂	1055	1014	562.52
15	B₂	697	670	38.89

Atom	y (Å)	z (Å)
O1	0.000	0.407
C2	1.208	-0.328
C3	-1.208	-0.328
O4	2.296	0.220
O5	-2.296	0.220
H6	1.042	-1.417
H7	-1.042	-1.417

	O1	C2	C3	O4	O5	H6	H7
O1		1.4143	1.4143	2.3033	2.3033	2.1005	2.1005
C2	1.4143		2.4161	1.2178	3.5463	1.1011	2.4994
C3	1.4143	2.4161		3.5463	1.2178	2.4994	1.1011
O4	2.3033	1.2178	3.5463		4.5914	2.0613	3.7171
O5	2.3033	3.5463	1.2178	4.5914		3.7171	2.0613
H6	2.1005	1.1011	2.4994	2.0613	3.7171		2.0839
H7	2.1005	2.4994	1.1011	3.7171	2.0613	2.0839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.942	O1	C2	H6	112.655
O1	C3	O5	121.942	C2	O1	C3	117.338
O4	C2	H6	125.404

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

using model chemistry: QCISD/3-21G*

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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