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	hartrees
Energy at 0K	-301.269292
Energy at 298.15K
HF Energy	-301.269292
Nuclear repulsion energy	157.007112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3017	2895	104.14
2	A₁	1877	1801	18.86
3	A₁	1485	1424	0.63
4	A₁	1077	1033	102.84
5	A₁	532	511	0.91
6	A₁	263	253	10.53
7	A₂	1064	1021	0.00
8	A₂	183	176	0.00
9	B₁	1066	1022	0.00
10	B₁	129	124	2.85
11	B₂	2999	2877	1.80
12	B₂	1782	1710	515.30
13	B₂	1432	1374	1.88
14	B₂	1056	1013	545.51
15	B₂	698	669	37.97

Atom	y (Å)	z (Å)
O1	0.000	0.404
C2	1.197	-0.324
C3	-1.197	-0.324
O4	2.275	0.218
O5	-2.275	0.218
H6	1.021	-1.410
H7	-1.021	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.4008	1.4008	2.2823	2.2823	2.0818	2.0818
C2	1.4008		2.3931	1.2066	3.5132	1.1000	2.4691
C3	1.4008	2.3931		3.5132	1.2066	2.4691	1.1000
O4	2.2823	1.2066	3.5132		4.5493	2.0546	3.6757
O5	2.2823	3.5132	1.2066	4.5493		3.6757	2.0546
H6	2.0818	1.1000	2.4691	2.0546	3.6757		2.0420
H7	2.0818	2.4691	1.1000	3.6757	2.0546	2.0420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.986	O1	C2	H6	112.147
O1	C3	O5	121.986	C2	O1	C3	117.342
O4	C2	H6	125.867

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

using model chemistry: B3PW91/3-21G*

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	-0.503
2	C	0.458
3	C	0.458
4	O	-0.407
5	O	-0.407
6	H	0.201
7	H	0.201

	x	y	z	Total
	0.000	0.000	-3.410	3.410
CHELPG
AIM
ESP

<r²>	128.122
(<r²>)^1/2	11.319