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	hartrees
Energy at 0K	-303.156392
Energy at 298.15K
HF Energy	-303.156392
Nuclear repulsion energy	157.541016

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	2921	2911	81.07	142.14	0.27	0.42
2	A₁	1813	1807	26.06	53.37	0.16	0.28
3	A₁	1386	1381	0.17	3.63	0.45	0.62
4	A₁	1059	1055	88.42	2.23	0.09	0.17
5	A₁	502	500	0.07	12.29	0.22	0.36
6	A₁	262	261	12.17	0.72	0.18	0.30
7	A₂	970	967	0.00	0.21	0.75	0.86
8	A₂	174	174	0.00	0.36	0.75	0.86
9	B₁	976	973	0.28	1.89	0.75	0.86
10	B₁	128	127	4.54	0.07	0.75	0.86
11	B₂	2899	2889	1.96	0.58	0.75	0.86
12	B₂	1737	1732	642.96	2.36	0.75	0.86
13	B₂	1335	1331	5.30	4.03	0.75	0.86
14	B₂	944	941	655.31	3.36	0.75	0.86
15	B₂	678	676	51.57	0.33	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.199	-0.327
C3	-1.199	-0.327
O4	2.261	0.226
O5	-2.261	0.226
H6	1.049	-1.423
H7	-1.049	-1.423

	O1	C2	C3	O4	O5	H6	H7
O1		1.3994	1.3994	2.2670	2.2670	2.0977	2.0977
C2	1.3994		2.3989	1.1971	3.5043	1.1059	2.5013
C3	1.3994	2.3989		3.5043	1.1971	2.5013	1.1059
O4	2.2670	1.1971	3.5043		4.5216	2.0466	3.6981
O5	2.2670	3.5043	1.1971	4.5216		3.6981	2.0466
H6	2.0977	1.1059	2.5013	2.0466	3.6981		2.0984
H7	2.0977	2.5013	1.1059	3.6981	2.0466	2.0984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.439	O1	C2	H6	113.198
O1	C3	O5	121.439	C2	O1	C3	117.985
O4	C2	H6	125.363

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

using model chemistry: BLYP/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	-0.145
2	C	0.153
3	C	0.153
4	O	-0.492
5	O	-0.492
6	H	0.412
7	H	0.412

	x	y	z	Total
	0.000	0.000	-3.250	3.250
CHELPG
AIM
ESP

<r²>	127.972
(<r²>)^1/2	11.312