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	hartrees
Energy at 0K	-59.223568
Energy at 298.15K
HF Energy	-59.223568
Nuclear repulsion energy	86.520835

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	3310	2973	132.52	98.28	0.29	0.45
2	A₁	2100	1886	54.95	41.31	0.15	0.26
3	A₁	1590	1427	2.22	1.19	0.54	0.70
4	A₁	1276	1146	160.76	3.43	0.27	0.43
5	A₁	586	526	1.02	5.21	0.32	0.48
6	A₁	303	272	21.29	0.79	0.61	0.76
7	A₂	1139	1023	0.00	2.84	0.75	0.86
8	A₂	166	149	0.00	0.88	0.75	0.86
9	B₁	1150	1032	3.58	0.40	0.75	0.86
10	B₁	128	115	5.58	0.12	0.75	0.86
11	B₂	3284	2949	1.07	2.55	0.75	0.86
12	B₂	2015	1810	1038.68	4.61	0.75	0.86
13	B₂	1529	1373	27.17	8.90	0.75	0.86
14	B₂	1267	1138	718.78	1.06	0.75	0.86
15	B₂	762	684	56.66	0.03	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.369
C2	1.169	-0.319
C3	-1.169	-0.319
O4	2.216	0.230
O5	-2.216	0.230
H6	1.048	-1.405
H7	-1.048	-1.405

	O1	C2	C3	O4	O5	H6	H7
O1		1.3567	1.3567	2.2201	2.2201	2.0611	2.0611
C2	1.3567		2.3387	1.1818	3.4294	1.0933	2.4696
C3	1.3567	2.3387		3.4294	1.1818	2.4696	1.0933
O4	2.2201	1.1818	3.4294		4.4316	2.0097	3.6511
O5	2.2201	3.4294	1.1818	4.4316		3.6511	2.0097
H6	2.0611	1.0933	2.4696	2.0097	3.6511		2.0966
H7	2.0611	2.4696	1.0933	3.6511	2.0097	2.0966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.837	O1	C2	H6	114.114
O1	C3	O5	121.837	C2	O1	C3	119.059
O4	C2	H6	124.049

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

using model chemistry: HF/CEP-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	-0.111
2	C	0.042
3	C	0.042
4	O	-0.139
5	O	-0.139
6	H	0.153
7	H	0.153

	x	y	z	Total
	0.000	0.000	-4.149	4.149
CHELPG
AIM
ESP

<r²>	97.604
(<r²>)^1/2	9.879