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	hartrees
Energy at 0K	-302.769431
Energy at 298.15K
HF Energy	-301.596148
Nuclear repulsion energy	159.772665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3052	3052
2	A₁	1893	1893
3	A₁	1455	1455
4	A₁	1155	1155
5	A₁	543	543
6	A₁	283	283
7	A₂	1018	1018
8	A₂	175	175
9	B₁	1027	1027
10	B₁	129	129
11	B₂	3031	3031
12	B₂	1815	1815
13	B₂	1398	1398
14	B₂	1095	1095
15	B₂	710	710

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.171	-0.320
C3	-1.171	-0.320
O4	2.230	0.219
O5	-2.230	0.219
H6	1.021	-1.408
H7	-1.021	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3717	1.3717	2.2371	2.2371	2.0714	2.0714
C2	1.3717		2.3424	1.1882	3.4438	1.0984	2.4475
C3	1.3717	2.3424		3.4438	1.1882	2.4475	1.0984
O4	2.2371	1.1882	3.4438		4.4604	2.0270	3.6357
O5	2.2371	3.4438	1.1882	4.4604		3.6357	2.0270
H6	2.0714	1.0984	2.4475	2.0270	3.6357		2.0423
H7	2.0714	2.4475	1.0984	3.6357	2.0270	2.0423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.659	O1	C2	H6	113.518
O1	C3	O5	121.659	C2	O1	C3	117.258
O4	C2	H6	124.823

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

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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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