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	hartrees
Energy at 0K	-302.471590
Energy at 298.15K
HF Energy	-301.510999
Nuclear repulsion energy	159.929733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2922	67.06
2	A₁	1940	1838	26.82
3	A₁	1493	1414	0.00
4	A₁	1180	1118	102.31
5	A₁	552	523	0.82
6	A₁	289	274	13.26
7	A₂	1053	998	0.00
8	A₂	175	165	0.00
9	B₁	1061	1005	1.00
10	B₁	126	119	4.48
11	B₂	3060	2899	0.09
12	B₂	1862	1764	608.59
13	B₂	1427	1352	12.61
14	B₂	1135	1075	597.47
15	B₂	717	679	38.48

Atom	y (Å)	z (Å)
O1	0.000	0.393
C2	1.169	-0.319
C3	-1.169	-0.319
O4	2.228	0.219
O5	-2.228	0.219
H6	1.018	-1.408
H7	-1.018	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3694	1.3694	2.2349	2.2349	2.0696	2.0696
C2	1.3694		2.3389	1.1875	3.4398	1.0995	2.4439
C3	1.3694	2.3389		3.4398	1.1875	2.4439	1.0995
O4	2.2349	1.1875	3.4398		4.4561	2.0276	3.6314
O5	2.2349	3.4398	1.1875	4.4561		3.6314	2.0276
H6	2.0696	1.0995	2.4439	2.0276	3.6314		2.0368
H7	2.0696	2.4439	1.0995	3.6314	2.0276	2.0368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.700	O1	C2	H6	113.460
O1	C3	O5	121.700	C2	O1	C3	117.291
O4	C2	H6	124.840

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

using model chemistry: QCISD/6-31G(2df,p)

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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