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	hartrees
Energy at 0K	-303.070860
Energy at 298.15K
HF Energy	-303.070860
Nuclear repulsion energy	159.986238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3008	2893	86.31
2	A₁	1925	1851	30.91
3	A₁	1439	1384	0.00
4	A₁	1152	1108	108.82
5	A₁	542	521	0.51
6	A₁	277	266	13.77
7	A₂	1024	984	0.00
8	A₂	186	179	0.00
9	B₁	1033	993	0.06
10	B₁	132	127	5.00
11	B₂	2988	2873	1.51
12	B₂	1845	1774	669.46
13	B₂	1384	1331	6.15
14	B₂	1086	1044	640.51
15	B₂	715	687	43.15

Atom	y (Å)	z (Å)
O1	0.000	0.387
C2	1.174	-0.319
C3	-1.174	-0.319
O4	2.227	0.222
O5	-2.227	0.222
H6	1.025	-1.411
H7	-1.025	-1.411

	O1	C2	C3	O4	O5	H6	H7
O1		1.3702	1.3702	2.2330	2.2330	2.0693	2.0693
C2	1.3702		2.3482	1.1840	3.4439	1.1016	2.4548
C3	1.3702	2.3482		3.4439	1.1840	2.4548	1.1016
O4	2.2330	1.1840	3.4439		4.4538	2.0280	3.6388
O5	2.2330	3.4439	1.1840	4.4538		3.6388	2.0280
H6	2.0693	1.1016	2.4548	2.0280	3.6388		2.0495
H7	2.0693	2.4548	1.1016	3.6388	2.0280	2.0495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.738	O1	C2	H6	113.238
O1	C3	O5	121.738	C2	O1	C3	117.940
O4	C2	H6	125.024

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

using model chemistry: B3PW91/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	-0.100
2	C	0.233
3	C	0.233
4	O	-0.220
5	O	-0.220
6	H	0.038
7	H	0.038

	x	y	z	Total
	0.000	0.000	-3.220	3.220
CHELPG
AIM
ESP

<r²>	124.012
(<r²>)^1/2	11.136