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	hartrees
Energy at 0K	-297.451473
Energy at 298.15K
HF Energy	-297.451473
Nuclear repulsion energy	157.339106

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	3541	2892	6.55	46.46	0.43	0.60
2	A₁	2161	1764	3.12	22.43	0.15	0.26
3	A₁	1640	1339	7.52	2.87	0.51	0.68
4	A₁	1247	1018	62.55	4.85	0.43	0.60
5	A₁	602	492	3.49	5.40	0.36	0.53
6	A₁	311	254	10.90	0.72	0.63	0.77
7	A₂	1063	868	0.00	3.13	0.75	0.86
8	A₂	173	141	0.00	0.74	0.75	0.86
9	B₁	1053	860	1.11	0.75	0.75	0.86
10	B₁	97	79	1.59	0.13	0.75	0.86
11	B₂	3539	2890	30.22	2.60	0.75	0.86
12	B₂	2079	1697	342.62	2.38	0.75	0.86
13	B₂	1600	1306	62.33	13.71	0.75	0.86
14	B₂	1362	1112	259.87	2.52	0.75	0.86
15	B₂	717	585	14.47	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.422
C2	1.179	-0.330
C3	-1.179	-0.330
O4	2.260	0.215
O5	-2.260	0.215
H6	1.022	-1.425
H7	-1.022	-1.425

	O1	C2	C3	O4	O5	H6	H7
O1		1.3990	1.3990	2.2691	2.2691	2.1113	2.1113
C2	1.3990		2.3584	1.2099	3.4816	1.1061	2.4585
C3	1.3990	2.3584		3.4816	1.2099	2.4585	1.1061
O4	2.2691	1.2099	3.4816		4.5190	2.0542	3.6683
O5	2.2691	3.4816	1.2099	4.5190		3.6683	2.0542
H6	2.1113	1.1061	2.4585	2.0542	3.6683		2.0440
H7	2.1113	2.4585	1.1061	3.6683	2.0542	2.0440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	120.689	O1	C2	H6	114.376
O1	C3	O5	120.689	C2	O1	C3	114.903
O4	C2	H6	124.935

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

using model chemistry: HF/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	-0.246
2	C	0.265
3	C	0.265
4	O	-0.207
5	O	-0.207
6	H	0.065
7	H	0.065

	x	y	z	Total
	0.000	0.000	-2.793	2.793
CHELPG
AIM
ESP

<r²>	125.007
(<r²>)^1/2	11.181