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	hartrees
Energy at 0K	-302.953057
Energy at 298.15K
HF Energy	-302.953057
Nuclear repulsion energy	159.346549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2910	103.25
2	A₁	1949	1865	30.41
3	A₁	1467	1403	0.00
4	A₁	1159	1109	117.00
5	A₁	542	519	0.70
6	A₁	278	266	13.62
7	A₂	1027	983	0.00
8	A₂	177	169	0.00
9	B₁	1035	990	0.86
10	B₁	132	126	4.14
11	B₂	3022	2891	0.10
12	B₂	1870	1789	641.78
13	B₂	1412	1351	9.67
14	B₂	1112	1064	597.15
15	B₂	709	679	38.62

Atom	y (Å)	z (Å)
O1	0.000	0.383
C2	1.178	-0.321
C3	-1.178	-0.321
O4	2.236	0.226
O5	-2.236	0.226
H6	1.034	-1.416
H7	-1.034	-1.416

	O1	C2	C3	O4	O5	H6	H7
O1		1.3729	1.3729	2.2416	2.2416	2.0751	2.0751
C2	1.3729		2.3562	1.1913	3.4579	1.1041	2.4677
C3	1.3729	2.3562		3.4579	1.1913	2.4677	1.1041
O4	2.2416	1.1913	3.4579		4.4722	2.0355	3.6589
O5	2.2416	3.4579	1.1913	4.4722		3.6589	2.0355
H6	2.0751	1.1041	2.4677	2.0355	3.6589		2.0671
H7	2.0751	2.4677	1.1041	3.6589	2.0355	2.0671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.737	O1	C2	H6	113.366
O1	C3	O5	121.737	C2	O1	C3	118.217
O4	C2	H6	124.897

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

using model chemistry: B3PW91/6-31G*

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	-0.374
2	C	0.399
3	C	0.399
4	O	-0.367
5	O	-0.367
6	H	0.155
7	H	0.155

	x	y	z	Total
	0.000	0.000	-3.217	3.217
CHELPG
AIM
ESP

<r²>	124.656
(<r²>)^1/2	11.165