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	hartrees
Energy at 0K	-302.333843
Energy at 298.15K
HF Energy	-301.487281
Nuclear repulsion energy	158.125620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3103	2978
2	A₁	1878	1802
3	A₁	1472	1412
4	A₁	1139	1093
5	A₁	532	511
6	A₁	278	266
7	A₂	1006	965
8	A₂	152	146
9	B₁	1014	973
10	B₁	119	115
11	B₂	3082	2957
12	B₂	1802	1729
13	B₂	1418	1361
14	B₂	1089	1045
15	B₂	693	665

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.184	-0.326
C3	-1.184	-0.326
O4	2.253	0.224
O5	-2.253	0.224
H6	1.041	-1.415
H7	-1.041	-1.415

	O1	C2	C3	O4	O5	H6	H7
O1		1.3857	1.3857	2.2598	2.2598	2.0871	2.0871
C2	1.3857		2.3670	1.2032	3.4807	1.0979	2.4761
C3	1.3857	2.3670		3.4807	1.2032	2.4761	1.0979
O4	2.2598	1.2032	3.4807		4.5068	2.0391	3.6792
O5	2.2598	3.4807	1.2032	4.5068		3.6792	2.0391
H6	2.0871	1.0979	2.4761	2.0391	3.6792		2.0810
H7	2.0871	2.4761	1.0979	3.6792	2.0391	2.0810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.427	O1	C2	H6	113.855
O1	C3	O5	121.427	C2	O1	C3	117.322
O4	C2	H6	124.718

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

using model chemistry: CCSD(T)/6-31+G**

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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