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	hartrees
Energy at 0K	-302.602987
Energy at 298.15K
HF Energy	-301.613504
Nuclear repulsion energy	160.723814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	3101	63.54
2	A₁	1976	1976	27.41
3	A₁	1494	1494	0.12
4	A₁	1203	1203	110.67
5	A₁	566	566	0.85
6	A₁	292	292	14.92
7	A₂	1053	1053	0.00
8	A₂	182	182	0.00
9	B₁	1061	1061	0.09
10	B₁	127	127	5.17
11	B₂	3080	3080	0.63
12	B₂	1898	1898	700.23
13	B₂	1434	1434	14.94
14	B₂	1158	1158	662.69
15	B₂	733	733	45.14

Atom	y (Å)	z (Å)
O1	0.000	0.391
C2	1.165	-0.318
C3	-1.165	-0.318
O4	2.216	0.218
O5	-2.216	0.218
H6	1.019	-1.403
H7	-1.019	-1.403

	O1	C2	C3	O4	O5	H6	H7
O1		1.3637	1.3637	2.2232	2.2232	2.0629	2.0629
C2	1.3637		2.3299	1.1804	3.4236	1.0946	2.4385
C3	1.3637	2.3299		3.4236	1.1804	2.4385	1.0946
O4	2.2232	1.1804	3.4236		4.4329	2.0154	3.6188
O5	2.2232	3.4236	1.1804	4.4329		3.6188	2.0154
H6	2.0629	1.0946	2.4385	2.0154	3.6188		2.0379
H7	2.0629	2.4385	1.0946	3.6188	2.0154	2.0379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.654	O1	C2	H6	113.660
O1	C3	O5	121.654	C2	O1	C3	117.352
O4	C2	H6	124.685

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

using model chemistry: MP3/Def2TZVPP

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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