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	hartrees
Energy at 0K	-302.393337
Energy at 298.15K
HF Energy	-301.556142
Nuclear repulsion energy	159.982618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3069	2931	86.34
2	A₁	1966	1878	25.30
3	A₁	1494	1426	0.35
4	A₁	1188	1135	121.53
5	A₁	556	531	0.85
6	A₁	292	278	13.96
7	A₂	1042	996	0.00
8	A₂	161	154	0.00
9	B₁	1047	1000	0.78
10	B₁	121	115	3.75
11	B₂	3044	2907	0.00
12	B₂	1894	1809	656.03
13	B₂	1435	1370	20.47
14	B₂	1149	1097	646.38
15	B₂	724	692	46.41

Atom	y (Å)	z (Å)
O1	0.000	0.389
C2	1.173	-0.319
C3	-1.173	-0.319
O4	2.227	0.221
O5	-2.227	0.221
H6	1.036	-1.413
H7	-1.036	-1.413

	O1	C2	C3	O4	O5	H6	H7
O1		1.3697	1.3697	2.2329	2.2329	2.0780	2.0780
C2	1.3697		2.3454	1.1843	3.4420	1.1022	2.4646
C3	1.3697	2.3454		3.4420	1.1843	2.4646	1.1022
O4	2.2329	1.1843	3.4420		4.4533	2.0217	3.6488
O5	2.2329	3.4420	1.1843	4.4533		3.6488	2.0217
H6	2.0780	1.1022	2.4646	2.0217	3.6488		2.0719
H7	2.0780	2.4646	1.1022	3.6488	2.0217	2.0719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.759	O1	C2	H6	113.981
O1	C3	O5	121.759	C2	O1	C3	117.783
O4	C2	H6	124.260

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

using model chemistry: CCD/6-311G*

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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