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	hartrees
Energy at 0K	-302.929276
Energy at 298.15K
HF Energy	-302.620916
Nuclear repulsion energy	159.275835

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	3055	3055	103.45	121.91	0.29	0.45
2	A₁	1902	1902	27.00	25.66	0.19	0.32
3	A₁	1469	1469	0.00	2.91	0.33	0.50
4	A₁	1139	1139	115.63	4.24	0.20	0.34
5	A₁	534	534	0.37	10.40	0.34	0.51
6	A₁	280	280	13.24	0.75	0.44	0.61
7	A₂	1025	1025	0.00	1.61	0.75	0.86
8	A₂	171	171	0.00	0.42	0.75	0.86
9	B₁	1031	1031	0.52	2.68	0.75	0.86
10	B₁	126	126	3.99	0.13	0.75	0.86
11	B₂	3030	3030	0.21	1.65	0.75	0.86
12	B₂	1826	1826	646.45	3.01	0.75	0.86
13	B₂	1414	1414	9.56	8.69	0.75	0.86
14	B₂	1071	1071	654.58	2.10	0.75	0.86
15	B₂	710	710	47.70	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.389
C2	1.181	-0.320
C3	-1.181	-0.320
O4	2.238	0.222
O5	-2.238	0.222
H6	1.035	-1.410
H7	-1.035	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3780	1.3780	2.2446	2.2446	2.0760	2.0760
C2	1.3780		2.3626	1.1880	3.4624	1.0996	2.4701
C3	1.3780	2.3626		3.4624	1.1880	2.4701	1.0996
O4	2.2446	1.1880	3.4624		4.4767	2.0275	3.6580
O5	2.2446	3.4624	1.1880	4.4767		3.6580	2.0275
H6	2.0760	1.0996	2.4701	2.0275	3.6580		2.0708
H7	2.0760	2.4701	1.0996	3.6580	2.0275	2.0708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.856	O1	C2	H6	113.363
O1	C3	O5	121.856	C2	O1	C3	118.023
O4	C2	H6	124.782

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

using model chemistry: B2PLYP=FULL/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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