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	hartrees
Energy at 0K	-302.450172
Energy at 298.15K
HF Energy	-301.586159
Nuclear repulsion energy	159.773680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2950	77.57
2	A₁	1931	1843	23.00
3	A₁	1502	1434	0.03
4	A₁	1175	1122	112.52
5	A₁	553	528	0.42
6	A₁	288	274	14.80
7	A₂	1036	989	0.00
8	A₂	157	149	0.00
9	B₁	1041	993	0.74
10	B₁	117	112	4.00
11	B₂	3067	2927	0.19
12	B₂	1854	1770	683.02
13	B₂	1452	1386	17.16
14	B₂	1123	1072	693.16
15	B₂	724	691	47.88

Atom	y (Å)	z (Å)
O1	0.000	0.391
C2	1.173	-0.321
C3	-1.173	-0.321
O4	2.230	0.221
O5	-2.230	0.221
H6	1.029	-1.409
H7	-1.029	-1.409

	O1	C2	C3	O4	O5	H6	H7
O1		1.3726	1.3726	2.2361	2.2361	2.0735	2.0735
C2	1.3726		2.3466	1.1871	3.4457	1.0973	2.4564
C3	1.3726	2.3466		3.4457	1.1871	2.4564	1.0973
O4	2.2361	1.1871	3.4457		4.4592	2.0239	3.6435
O5	2.2361	3.4457	1.1871	4.4592		3.6435	2.0239
H6	2.0735	1.0973	2.4564	2.0239	3.6435		2.0584
H7	2.0735	2.4564	1.0973	3.6435	2.0239	2.0584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.587	O1	C2	H6	113.716
O1	C3	O5	121.587	C2	O1	C3	117.477
O4	C2	H6	124.697

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

using model chemistry: CCSD/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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