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	hartrees
Energy at 0K	-302.756189
Energy at 298.15K
HF Energy	-302.756189
Nuclear repulsion energy	157.713210

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	2938	2896	109.13	113.72	0.29	0.45
2	A₁	1878	1851	23.80	27.67	0.19	0.32
3	A₁	1413	1393	0.30	2.93	0.32	0.48
4	A₁	1100	1085	101.25	5.05	0.19	0.32
5	A₁	519	511	0.29	11.37	0.36	0.53
6	A₁	269	266	11.58	0.72	0.37	0.54
7	A₂	979	965	0.00	1.24	0.75	0.86
8	A₂	179	176	0.00	0.24	0.75	0.86
9	B₁	986	972	0.08	4.28	0.75	0.86
10	B₁	130	128	3.97	0.09	0.75	0.86
11	B₂	2920	2878	0.06	2.42	0.75	0.86
12	B₂	1800	1775	563.12	2.65	0.75	0.86
13	B₂	1358	1338	6.06	9.84	0.75	0.86
14	B₂	1023	1008	552.80	3.02	0.75	0.86
15	B₂	682	672	33.41	0.03	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.397
C2	1.189	-0.325
C3	-1.189	-0.325
O4	2.259	0.223
O5	-2.259	0.223
H6	1.030	-1.427
H7	-1.030	-1.427

	O1	C2	C3	O4	O5	H6	H7
O1		1.3908	1.3908	2.2657	2.2657	2.0950	2.0950
C2	1.3908		2.3774	1.2023	3.4909	1.1139	2.4772
C3	1.3908	2.3774		3.4909	1.2023	2.4772	1.1139
O4	2.2657	1.2023	3.4909		4.5180	2.0579	3.6795
O5	2.2657	3.4909	1.2023	4.5180		3.6795	2.0579
H6	2.0950	1.1139	2.4772	2.0579	3.6795		2.0592
H7	2.0950	2.4772	1.1139	3.6795	2.0579	2.0592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.618	O1	C2	H6	113.065
O1	C3	O5	121.618	C2	O1	C3	117.447
O4	C2	H6	125.317

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	O	-0.323
2	C	0.352
3	C	0.352
4	O	-0.331
5	O	-0.331
6	H	0.141
7	H	0.141

	x	y	z	Total
	0.000	0.000	-2.940	2.940
CHELPG
AIM
ESP

<r²>	126.685
(<r²>)^1/2	11.255