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	hartrees
Energy at 0K	-302.955889
Energy at 298.15K
HF Energy	-302.955889
Nuclear repulsion energy	159.356736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3028	2902	97.68
2	A₁	1948	1867	30.56
3	A₁	1456	1396	0.01
4	A₁	1159	1111	117.19
5	A₁	542	519	0.71
6	A₁	276	265	13.67
7	A₂	1029	986	0.00
8	A₂	179	172	0.00
9	B₁	1036	993	0.68
10	B₁	133	127	4.16
11	B₂	3009	2884	0.09
12	B₂	1869	1791	635.55
13	B₂	1405	1347	8.49
14	B₂	1111	1064	596.33
15	B₂	709	680	38.61

Atom	y (Å)	z (Å)
O1	0.000	0.384
C2	1.178	-0.322
C3	-1.178	-0.322
O4	2.236	0.226
O5	-2.236	0.226
H6	1.032	-1.416
H7	-1.032	-1.416

	O1	C2	C3	O4	O5	H6	H7
O1		1.3731	1.3731	2.2411	2.2411	2.0751	2.0751
C2	1.3731		2.3552	1.1914	3.4568	1.1041	2.4654
C3	1.3731	2.3552		3.4568	1.1914	2.4654	1.1041
O4	2.2411	1.1914	3.4568		4.4710	2.0365	3.6567
O5	2.2411	3.4568	1.1914	4.4710		3.6567	2.0365
H6	2.0751	1.1041	2.4654	2.0365	3.6567		2.0632
H7	2.0751	2.4654	1.1041	3.6567	2.0365	2.0632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.667	O1	C2	H6	113.344
O1	C3	O5	121.667	C2	O1	C3	118.110
O4	C2	H6	124.989

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	-0.387
2	C	0.455
3	C	0.455
4	O	-0.379
5	O	-0.379
6	H	0.118
7	H	0.118

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

<r²>	124.593
(<r²>)^1/2	11.162