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	hartrees
Energy at 0K	-302.293481
Energy at 298.15K
HF Energy	-301.490252
Nuclear repulsion energy	159.085041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	2958	67.94
2	A₁	1945	1833	21.62
3	A₁	1502	1415	0.00
4	A₁	1176	1108	111.96
5	A₁	550	518	0.62
6	A₁	285	268	15.25
7	A₂	1039	979	0.00
8	A₂	154	145	0.00
9	B₁	1046	985	0.27
10	B₁	122	115	3.80
11	B₂	3117	2937	0.23
12	B₂	1871	1763	719.78
13	B₂	1447	1363	21.52
14	B₂	1144	1078	711.63
15	B₂	711	670	44.71

Atom	y (Å)	z (Å)
O1	0.000	0.387
C2	1.178	-0.324
C3	-1.178	-0.324
O4	2.239	0.226
O5	-2.239	0.226
H6	1.043	-1.411
H7	-1.043	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3758	1.3758	2.2451	2.2451	2.0786	2.0786
C2	1.3758		2.3561	1.1955	3.4614	1.0958	2.4728
C3	1.3758	2.3561		3.4614	1.1955	2.4728	1.0958
O4	2.2451	1.1955	3.4614		4.4787	2.0282	3.6680
O5	2.2451	3.4614	1.1955	4.4787		3.6680	2.0282
H6	2.0786	1.0958	2.4728	2.0282	3.6680		2.0857
H7	2.0786	2.4728	1.0958	3.6680	2.0282	2.0857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.491	O1	C2	H6	114.014
O1	C3	O5	121.491	C2	O1	C3	117.794
O4	C2	H6	124.495

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

using model chemistry: CCD/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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