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	hartrees
Energy at 0K	-302.274038
Energy at 298.15K
HF Energy	-301.479066
Nuclear repulsion energy	158.328719

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	3122	2924	89.71	110.19	0.26	0.42
2	A₁	1892	1772	16.02	22.82	0.18	0.31
3	A₁	1489	1395	0.41	4.69	0.30	0.47
4	A₁	1153	1080	110.24	5.03	0.23	0.38
5	A₁	537	503	0.75	9.79	0.35	0.52
6	A₁	280	263	12.42	0.79	0.56	0.72
7	A₂	1033	967	0.00	1.52	0.75	0.86
8	A₂	170	159	0.00	0.51	0.75	0.86
9	B₁	1038	972	0.88	3.66	0.75	0.86
10	B₁	127	119	3.62	0.10	0.75	0.86
11	B₂	3102	2905	0.01	1.24	0.75	0.86
12	B₂	1818	1703	544.73	3.03	0.75	0.86
13	B₂	1436	1344	12.56	10.71	0.75	0.86
14	B₂	1100	1030	654.38	2.25	0.75	0.86
15	B₂	700	656	34.23	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.396
C2	1.181	-0.325
C3	-1.181	-0.325
O4	2.252	0.222
O5	-2.252	0.222
H6	1.028	-1.411
H7	-1.028	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3831	1.3831	2.2585	2.2585	2.0784	2.0784
C2	1.3831		2.3616	1.2025	3.4759	1.0971	2.4612
C3	1.3831	2.3616		3.4759	1.2025	2.4612	1.0971
O4	2.2585	1.2025	3.4759		4.5036	2.0409	3.6636
O5	2.2585	3.4759	1.2025	4.5036		3.6636	2.0409
H6	2.0784	1.0971	2.4612	2.0409	3.6636		2.0553
H7	2.0784	2.4612	1.0971	3.6636	2.0409	2.0553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.579	O1	C2	H6	113.354
O1	C3	O5	121.579	C2	O1	C3	117.240
O4	C2	H6	125.068

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

using model chemistry: MP2/6-31G**

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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