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	hartrees
Energy at 0K	-302.438513
Energy at 298.15K
HF Energy	-301.586933
Nuclear repulsion energy	160.102291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2937	75.86
2	A₁	1956	1855	21.89
3	A₁	1511	1433	0.09
4	A₁	1187	1125	116.29
5	A₁	559	530	0.52
6	A₁	290	275	14.83
7	A₂	1044	990	0.00
8	A₂	159	150	0.00
9	B₁	1048	993	0.79
10	B₁	118	112	3.92
11	B₂	3075	2915	0.15
12	B₂	1881	1783	687.56
13	B₂	1460	1384	19.10
14	B₂	1141	1081	696.06
15	B₂	730	692	48.56

Atom	y (Å)	z (Å)
O1	0.000	0.389
C2	1.171	-0.320
C3	-1.171	-0.320
O4	2.225	0.221
O5	-2.225	0.221
H6	1.030	-1.408
H7	-1.030	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3695	1.3695	2.2310	2.2310	2.0713	2.0713
C2	1.3695		2.3427	1.1844	3.4389	1.0970	2.4550
C3	1.3695	2.3427		3.4389	1.1844	2.4550	1.0970
O4	2.2310	1.1844	3.4389		4.4493	2.0207	3.6393
O5	2.2310	3.4389	1.1844	4.4493		3.6393	2.0207
H6	2.0713	1.0970	2.4550	2.0207	3.6393		2.0590
H7	2.0713	2.4550	1.0970	3.6393	2.0207	2.0590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.584	O1	C2	H6	113.775
O1	C3	O5	121.584	C2	O1	C3	117.590
O4	C2	H6	124.640

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

using model chemistry: CCD/TZVP

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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