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	hartrees
Energy at 0K	-301.794005
Energy at 298.15K
HF Energy	-301.310866
Nuclear repulsion energy	156.689800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	2973	70.23
2	A₁	1878	1761	29.29
3	A₁	1520	1425	0.14
4	A₁	1121	1052	119.61
5	A₁	535	502	1.45
6	A₁	260	243	14.44
7	A₂	1056	990	0.00
8	A₂	149	140	0.00
9	B₁	1061	995	1.84
10	B₁	122	114	1.19
11	B₂	3153	2957	1.85
12	B₂	1795	1684	625.30
13	B₂	1480	1388	6.36
14	B₂	1127	1057	663.04
15	B₂	701	658	52.33

Atom	y (Å)	z (Å)
O1	0.000	0.357
C2	1.214	-0.333
C3	-1.214	-0.333
O4	2.275	0.249
O5	-2.275	0.249
H6	1.107	-1.421
H7	-1.107	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3964	1.3964	2.2779	2.2779	2.0949	2.0949
C2	1.3964		2.4272	1.2109	3.5372	1.0927	2.5631
C3	1.3964	2.4272		3.5372	1.2109	2.5631	1.0927
O4	2.2779	1.2109	3.5372		4.5506	2.0378	3.7724
O5	2.2779	3.5372	1.2109	4.5506		3.7724	2.0378
H6	2.0949	1.0927	2.5631	2.0378	3.7724		2.2148
H7	2.0949	2.5631	1.0927	3.7724	2.0378	2.2148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.607	O1	C2	H6	114.067
O1	C3	O5	121.607	C2	O1	C3	120.707
O4	C2	H6	124.326

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

using model chemistry: CISD/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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