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	hartrees
Energy at 0K	-302.412189
Energy at 298.15K
HF Energy	-301.557243
Nuclear repulsion energy	159.148590

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	3072	2919	94.78	123.27	0.26	0.41
2	A₁	1890	1796	16.12	23.68	0.19	0.32
3	A₁	1471	1398	0.23	4.98	0.32	0.48
4	A₁	1154	1097	114.59	4.16	0.28	0.44
5	A₁	539	512	0.47	9.78	0.34	0.50
6	A₁	283	269	12.54	0.81	0.51	0.68
7	A₂	1036	984	0.00	1.35	0.75	0.86
8	A₂	178	169	0.00	0.49	0.75	0.86
9	B₁	1039	988	0.46	2.47	0.75	0.86
10	B₁	125	118	4.04	0.15	0.75	0.86
11	B₂	3049	2897	0.32	0.74	0.75	0.86
12	B₂	1816	1725	585.54	3.22	0.75	0.86
13	B₂	1419	1348	11.95	8.70	0.75	0.86
14	B₂	1086	1032	672.67	1.84	0.75	0.86
15	B₂	708	673	40.29	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.403
C2	1.174	-0.319
C3	-1.174	-0.319
O4	2.241	0.213
O5	-2.241	0.213
H6	1.008	-1.408
H7	-1.008	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3785	1.3785	2.2490	2.2490	2.0729	2.0729
C2	1.3785		2.3480	1.1924	3.4562	1.1013	2.4388
C3	1.3785	2.3480		3.4562	1.1924	2.4388	1.1013
O4	2.2490	1.1924	3.4562		4.4820	2.0366	3.6312
O5	2.2490	3.4562	1.1924	4.4820		3.6312	2.0366
H6	2.0729	1.1013	2.4388	2.0366	3.6312		2.0165
H7	2.0729	2.4388	1.1013	3.6312	2.0366	2.0165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.879	O1	C2	H6	112.948
O1	C3	O5	121.879	C2	O1	C3	116.789
O4	C2	H6	125.173

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

using model chemistry: MP2/6-311G**

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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