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	hartrees
Energy at 0K	-302.602567
Energy at 298.15K
HF Energy	-302.401937
Nuclear repulsion energy	155.523829

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	3099	3099	83.29	127.03	0.28	0.44
2	A₁	1782	1782	18.79	19.88	0.16	0.27
3	A₁	1464	1464	0.42	3.72	0.29	0.45
4	A₁	1052	1052	98.00	8.59	0.19	0.32
5	A₁	507	507	0.62	14.77	0.39	0.56
6	A₁	251	251	12.23	0.90	0.59	0.74
7	A₂	1010	1010	0.00	2.37	0.75	0.86
8	A₂	159	159	0.00	0.84	0.75	0.86
9	B₁	1019	1019	0.01	2.90	0.75	0.86
10	B₁	126	126	1.87	0.07	0.75	0.86
11	B₂	3083	3083	1.32	4.46	0.75	0.86
12	B₂	1699	1699	534.85	2.22	0.75	0.86
13	B₂	1421	1421	2.48	14.64	0.75	0.86
14	B₂	1018	1018	656.54	2.39	0.75	0.86
15	B₂	674	674	47.44	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.378
C2	1.218	-0.335
C3	-1.218	-0.335
O4	2.294	0.240
O5	-2.294	0.240
H6	1.086	-1.423
H7	-1.086	-1.423

	O1	C2	C3	O4	O5	H6	H7
O1		1.4110	1.4110	2.2980	2.2980	2.1031	2.1031
C2	1.4110		2.4352	1.2201	3.5582	1.0957	2.5479
C3	1.4110	2.4352		3.5582	1.2201	2.5479	1.0957
O4	2.2980	1.2201	3.5582		4.5876	2.0548	3.7670
O5	2.2980	3.5582	1.2201	4.5876		3.7670	2.0548
H6	2.1031	1.0957	2.5479	2.0548	3.7670		2.1729
H7	2.1031	2.5479	1.0957	3.7670	2.0548	2.1729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.542	O1	C2	H6	113.475
O1	C3	O5	121.542	C2	O1	C3	119.299
O4	C2	H6	124.984

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

using model chemistry: B2PLYP=FULLultrafine/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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