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	hartrees
Energy at 0K	-302.276439
Energy at 298.15K
HF Energy	-301.475638
Nuclear repulsion energy	158.383785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3104	2925	87.22	109.62	0.27	0.42
2	A₁	1895	1786	16.90	23.17	0.18	0.31
3	A₁	1491	1405	0.55	4.05	0.30	0.46
4	A₁	1155	1088	110.71	4.99	0.23	0.38
5	A₁	538	506	0.75	9.81	0.35	0.52
6	A₁	282	266	12.39	0.79	0.56	0.72
7	A₂	1033	973	0.00	1.60	0.75	0.86
8	A₂	170	160	0.00	0.50	0.75	0.86
9	B₁	1036	976	0.64	3.90	0.75	0.86
10	B₁	127	120	3.51	0.10	0.75	0.86
11	B₂	3083	2905	0.00	1.39	0.75	0.86
12	B₂	1822	1717	543.33	2.97	0.75	0.86
13	B₂	1432	1349	11.12	11.14	0.75	0.86
14	B₂	1103	1039	661.95	2.24	0.75	0.86
15	B₂	703	663	35.20	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.392
C2	1.181	-0.325
C3	-1.181	-0.325
O4	2.250	0.224
O5	-2.250	0.224
H6	1.034	-1.415
H7	-1.034	-1.415

	O1	C2	C3	O4	O5	H6	H7
O1		1.3817	1.3817	2.2564	2.2564	2.0825	2.0825
C2	1.3817		2.3624	1.2017	3.4750	1.1007	2.4691
C3	1.3817	2.3624		3.4750	1.2017	2.4691	1.1007
O4	2.2564	1.2017	3.4750		4.5004	2.0416	3.6707
O5	2.2564	3.4750	1.2017	4.5004		3.6707	2.0416
H6	2.0825	1.1007	2.4691	2.0416	3.6707		2.0678
H7	2.0825	2.4691	1.1007	3.6707	2.0416	2.0678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.564	O1	C2	H6	113.565
O1	C3	O5	121.564	C2	O1	C3	117.491
O4	C2	H6	124.871

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

using model chemistry: MP2=FULL/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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