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	hartrees
Energy at 0K	-299.783092
Energy at 298.15K
HF Energy	-299.783092
Nuclear repulsion energy	159.555635

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	3258	2941	83.31	92.40	0.28	0.43
2	A₁	2042	1843	40.82	27.18	0.16	0.28
3	A₁	1623	1465	1.44	1.37	0.43	0.61
4	A₁	1198	1081	153.22	6.73	0.24	0.39
5	A₁	577	520	3.28	6.28	0.41	0.58
6	A₁	267	241	13.87	0.98	0.68	0.81
7	A₂	1186	1070	0.00	6.47	0.75	0.86
8	A₂	162	146	0.00	1.13	0.75	0.86
9	B₁	1191	1075	8.75	2.09	0.75	0.86
10	B₁	129	116	1.22	0.10	0.75	0.86
11	B₂	3237	2922	2.82	5.77	0.75	0.86
12	B₂	1953	1763	699.43	4.57	0.75	0.86
13	B₂	1581	1427	4.63	14.88	0.75	0.86
14	B₂	1248	1127	628.09	0.68	0.75	0.86
15	B₂	760	686	59.35	0.06	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.343
C2	1.197	-0.323
C3	-1.197	-0.323
O4	2.238	0.245
O5	-2.238	0.245
H6	1.082	-1.397
H7	-1.082	-1.397

	O1	C2	C3	O4	O5	H6	H7
O1		1.3697	1.3697	2.2403	2.2403	2.0487	2.0487
C2	1.3697		2.3938	1.1860	3.4816	1.0801	2.5191
C3	1.3697	2.3938		3.4816	1.1860	2.5191	1.0801
O4	2.2403	1.1860	3.4816		4.4763	2.0080	3.7037
O5	2.2403	3.4816	1.1860	4.4763		3.7037	2.0080
H6	2.0487	1.0801	2.5191	2.0080	3.7037		2.1636
H7	2.0487	2.5191	1.0801	3.7037	2.0080	2.1636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.309	O1	C2	H6	112.973
O1	C3	O5	122.309	C2	O1	C3	121.821
O4	C2	H6	124.718

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

using model chemistry: HF/3-21G*

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	-0.721
2	C	0.668
3	C	0.668
4	O	-0.515
5	O	-0.515
6	H	0.207
7	H	0.207

	x	y	z	Total
	0.000	0.000	-4.326	4.326
CHELPG
AIM
ESP

<r²>	126.013
(<r²>)^1/2	11.226