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	hartrees
Energy at 0K	-302.253723
Energy at 298.15K
HF Energy	-301.478822
Nuclear repulsion energy	159.432991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2926	77.98
2	A₁	1986	1864	27.74
3	A₁	1513	1420	0.16
4	A₁	1197	1123	119.41
5	A₁	559	524	1.20
6	A₁	289	271	14.40
7	A₂	1050	985	0.00
8	A₂	163	153	0.00
9	B₁	1054	989	1.37
10	B₁	125	117	3.63
11	B₂	3097	2907	0.14
12	B₂	1913	1795	626.18
13	B₂	1457	1367	18.96
14	B₂	1169	1097	621.44
15	B₂	720	676	41.16

Atom	y (Å)	z (Å)
O1	0.000	0.384
C2	1.176	-0.324
C3	-1.176	-0.324
O4	2.233	0.228
O5	-2.233	0.228
H6	1.044	-1.416
H7	-1.044	-1.416

	O1	C2	C3	O4	O5	H6	H7
O1		1.3725	1.3725	2.2383	2.2383	2.0802	2.0802
C2	1.3725		2.3525	1.1919	3.4535	1.1001	2.4742
C3	1.3725	2.3525		3.4535	1.1919	2.4742	1.1001
O4	2.2383	1.1919	3.4535		4.4658	2.0287	3.6658
O5	2.2383	3.4535	1.1919	4.4658		3.6658	2.0287
H6	2.0802	1.1001	2.4742	2.0287	3.6658		2.0876
H7	2.0802	2.4742	1.1001	3.6658	2.0287	2.0876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.419	O1	C2	H6	114.103
O1	C3	O5	121.419	C2	O1	C3	117.965
O4	C2	H6	124.478

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

using model chemistry: MP3/6-31G*

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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