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	hartrees
Energy at 0K	-303.034319
Energy at 298.15K
HF Energy	-303.034319
Nuclear repulsion energy	159.784260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3020	2907	109.92
2	A₁	1937	1865	32.26
3	A₁	1456	1402	0.06
4	A₁	1148	1105	122.40
5	A₁	539	519	0.42
6	A₁	276	266	14.04
7	A₂	1023	984	0.00
8	A₂	177	170	0.00
9	B₁	1030	991	0.61
10	B₁	129	124	4.27
11	B₂	2998	2886	0.45
12	B₂	1860	1791	693.81
13	B₂	1403	1351	9.73
14	B₂	1087	1046	632.81
15	B₂	714	687	46.73

Atom	y (Å)	z (Å)
O1	0.000	0.385
C2	1.178	-0.319
C3	-1.178	-0.319
O4	2.230	0.224
O5	-2.230	0.224
H6	1.034	-1.413
H7	-1.034	-1.413

	O1	C2	C3	O4	O5	H6	H7
O1		1.3721	1.3721	2.2362	2.2362	2.0734	2.0734
C2	1.3721		2.3560	1.1840	3.4513	1.1030	2.4677
C3	1.3721	2.3560		3.4513	1.1840	2.4677	1.1030
O4	2.2362	1.1840	3.4513		4.4608	2.0268	3.6516
O5	2.2362	3.4513	1.1840	4.4608		3.6516	2.0268
H6	2.0734	1.1030	2.4677	2.0268	3.6516		2.0683
H7	2.0734	2.4677	1.1030	3.6516	2.0268	2.0683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.886	O1	C2	H6	113.353
O1	C3	O5	121.886	C2	O1	C3	118.308
O4	C2	H6	124.761

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

using model chemistry: B3PW91/6-311G*

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	-0.216
2	C	0.190
3	C	0.190
4	O	-0.263
5	O	-0.263
6	H	0.181
7	H	0.181

	x	y	z	Total
	0.000	0.000	-3.302	3.302
CHELPG
AIM
ESP

<r²>	124.363
(<r²>)^1/2	11.152