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	hartrees
Energy at 0K	-298.893171
Energy at 298.15K
HF Energy	-298.893171
Nuclear repulsion energy	151.699135

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	3050	3050	42.53	56.20	0.44	0.61
2	A₁	1860	1860	1.05	10.12	0.12	0.22
3	A₁	1418	1418	0.00	3.17	0.52	0.69
4	A₁	1058	1058	43.57	5.33	0.20	0.33
5	A₁	505	505	0.79	11.95	0.35	0.52
6	A₁	270	270	7.20	0.46	0.36	0.53
7	A₂	886	886	0.00	0.27	0.75	0.86
8	A₂	218	218	0.00	0.09	0.75	0.86
9	B₁	888	888	2.06	1.16	0.75	0.86
10	B₁	118	118	2.42	0.10	0.75	0.86
11	B₂	3056	3056	10.93	3.01	0.75	0.86
12	B₂	1770	1770	238.42	0.46	0.75	0.86
13	B₂	1386	1386	17.64	12.45	0.75	0.86
14	B₂	1020	1020	321.52	2.82	0.75	0.86
15	B₂	617	617	7.66	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.480
C2	1.215	-0.339
C3	-1.215	-0.339
O4	2.346	0.195
O5	-2.346	0.195
H6	0.982	-1.451
H7	-0.982	-1.451

	O1	C2	C3	O4	O5	H6	H7
O1		1.4652	1.4652	2.3632	2.3632	2.1663	2.1663
C2	1.4652		2.4293	1.2511	3.6004	1.1358	2.4617
C3	1.4652	2.4293		3.6004	1.2511	2.4617	1.1358
O4	2.3632	1.2511	3.6004		4.6918	2.1378	3.7125
O5	2.3632	3.6004	1.2511	4.6918		3.7125	2.1378
H6	2.1663	1.1358	2.4617	2.1378	3.7125		1.9636
H7	2.1663	2.4617	1.1358	3.7125	2.1378	1.9636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	120.713	O1	C2	H6	112.173
O1	C3	O5	120.713	C2	O1	C3	111.994
O4	C2	H6	127.114

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

using model chemistry: B97D3/STO-3G

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	-0.130
2	C	0.150
3	C	0.150
4	O	-0.155
5	O	-0.155
6	H	0.069
7	H	0.069

	x	y	z	Total
	0.000	0.000	-2.096	2.096
CHELPG
AIM
ESP

<r²>	132.411
(<r²>)^1/2	11.507