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	hartrees
Energy at 0K	-303.096340
Energy at 298.15K
HF Energy	-303.096340
Nuclear repulsion energy	160.336205

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	3028	2897	71.02	123.50	0.24	0.39
2	A₁	1940	1856	33.87	47.99	0.15	0.25
3	A₁	1452	1389	0.01	3.24	0.41	0.58
4	A₁	1167	1116	106.29	2.19	0.10	0.17
5	A₁	550	526	0.61	8.11	0.20	0.34
6	A₁	281	268	14.80	0.62	0.31	0.47
7	A₂	1035	990	0.00	0.50	0.75	0.86
8	A₂	182	174	0.00	0.47	0.75	0.86
9	B₁	1044	998	0.00	1.29	0.75	0.86
10	B₁	132	126	5.11	0.07	0.75	0.86
11	B₂	3009	2878	2.52	0.39	0.75	0.86
12	B₂	1859	1778	750.35	2.37	0.75	0.86
13	B₂	1396	1335	9.11	3.81	0.75	0.86
14	B₂	1112	1063	701.54	1.94	0.75	0.86
15	B₂	722	690	46.31	0.09	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.380
C2	1.173	-0.320
C3	-1.173	-0.320
O4	2.221	0.226
O5	-2.221	0.226
H6	1.035	-1.411
H7	-1.035	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3661	1.3661	2.2261	2.2261	2.0688	2.0688
C2	1.3661		2.3457	1.1819	3.4374	1.0998	2.4625
C3	1.3661	2.3457		3.4374	1.1819	2.4625	1.0998
O4	2.2261	1.1819	3.4374		4.4415	2.0221	3.6441
O5	2.2261	3.4374	1.1819	4.4415		3.6441	2.0221
H6	2.0688	1.0998	2.4625	2.0221	3.6441		2.0693
H7	2.0688	2.4625	1.0998	3.6441	2.0221	2.0693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.612	O1	C2	H6	113.625
O1	C3	O5	121.612	C2	O1	C3	118.312
O4	C2	H6	124.763

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.137
2	C	0.249
3	C	0.249
4	O	-0.624
5	O	-0.624
6	H	0.444
7	H	0.444

	x	y	z	Total
	0.000	0.000	-3.380	3.380
CHELPG
AIM
ESP

<r²>	123.766
(<r²>)^1/2	11.125