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	hartrees
Energy at 0K	-59.048692
Energy at 298.15K
HF Energy	-59.048692
Nuclear repulsion energy	84.936289

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	3325	2998	108.61	119.06	0.31	0.47
2	A₁	1944	1753	40.15	51.51	0.13	0.23
3	A₁	1566	1411	1.55	1.82	0.41	0.58
4	A₁	1165	1051	157.71	5.34	0.34	0.50
5	A₁	552	497	1.70	7.58	0.37	0.54
6	A₁	260	234	21.74	1.20	0.69	0.82
7	A₂	1104	995	0.00	5.49	0.75	0.86
8	A₂	138	124	0.00	1.75	0.75	0.86
9	B₁	1111	1002	0.83	0.05	0.75	0.86
10	B₁	122	110	1.73	0.14	0.75	0.86
11	B₂	3307	2981	0.43	7.13	0.75	0.86
12	B₂	1861	1677	863.82	7.51	0.75	0.86
13	B₂	1521	1371	8.32	13.09	0.75	0.86
14	B₂	1228	1107	732.31	1.46	0.75	0.86
15	B₂	723	652	68.07	0.02	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.337
C2	1.209	-0.334
C3	-1.209	-0.334
O4	2.257	0.259
O5	-2.257	0.259
H6	1.124	-1.417
H7	-1.124	-1.417

	O1	C2	C3	O4	O5	H6	H7
O1		1.3824	1.3824	2.2581	2.2581	2.0841	2.0841
C2	1.3824		2.4173	1.2040	3.5157	1.0871	2.5725
C3	1.3824	2.4173		3.5157	1.2040	2.5725	1.0871
O4	2.2581	1.2040	3.5157		4.5136	2.0229	3.7739
O5	2.2581	3.5157	1.2040	4.5136		3.7739	2.0229
H6	2.0841	1.0871	2.5725	2.0229	3.7739		2.2488
H7	2.0841	2.5725	1.0871	3.7739	2.0229	2.2488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.489	O1	C2	H6	114.591
O1	C3	O5	121.489	C2	O1	C3	121.928
O4	C2	H6	123.920

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	-0.228
2	C	0.088
3	C	0.088
4	O	-0.141
5	O	-0.141
6	H	0.167
7	H	0.167

	x	y	z	Total
	0.000	0.000	-5.270	5.270
CHELPG
AIM
ESP

<r²>	101.894
(<r²>)^1/2	10.094