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	hartrees
Energy at 0K	-302.807626
Energy at 298.15K
HF Energy	-302.540053
Nuclear repulsion energy	158.785362

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	3080	2921	94.12	108.96	0.28	0.44
2	A₁	1914	1815	25.34	25.29	0.18	0.31
3	A₁	1482	1405	0.05	3.25	0.32	0.48
4	A₁	1148	1089	111.46	5.41	0.17	0.29
5	A₁	537	509	0.65	10.09	0.35	0.52
6	A₁	280	265	12.92	0.77	0.51	0.68
7	A₂	1031	977	0.00	1.76	0.75	0.86
8	A₂	172	163	0.00	0.43	0.75	0.86
9	B₁	1037	983	1.06	3.65	0.75	0.86
10	B₁	129	122	3.90	0.09	0.75	0.86
11	B₂	3058	2900	0.02	2.03	0.75	0.86
12	B₂	1836	1742	601.22	2.88	0.75	0.86
13	B₂	1426	1352	9.52	10.27	0.75	0.86
14	B₂	1095	1039	623.37	2.35	0.75	0.86
15	B₂	705	669	38.74	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.387
C2	1.182	-0.323
C3	-1.182	-0.323
O4	2.245	0.226
O5	-2.245	0.226
H6	1.036	-1.414
H7	-1.036	-1.414

	O1	C2	C3	O4	O5	H6	H7
O1		1.3790	1.3790	2.2506	2.2506	2.0779	2.0779
C2	1.3790		2.3640	1.1961	3.4704	1.1003	2.4720
C3	1.3790	2.3640		3.4704	1.1961	2.4720	1.1003
O4	2.2506	1.1961	3.4704		4.4895	2.0366	3.6679
O5	2.2506	3.4704	1.1961	4.4895		3.6679	2.0366
H6	2.0779	1.1003	2.4720	2.0366	3.6679		2.0728
H7	2.0779	2.4720	1.1003	3.6679	2.0366	2.0728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.685	O1	C2	H6	113.403
O1	C3	O5	121.685	C2	O1	C3	117.988
O4	C2	H6	124.912

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

using model chemistry: B2PLYP=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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