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	hartrees
Energy at 0K	-302.260203
Energy at 298.15K
HF Energy	-301.478116
Nuclear repulsion energy	159.131884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2930	81.69
2	A₁	1968	1862	24.86
3	A₁	1504	1424	0.09
4	A₁	1187	1123	117.19
5	A₁	553	524	1.18
6	A₁	288	272	13.78
7	A₂	1043	987	0.00
8	A₂	159	151	0.00
9	B₁	1047	991	1.45
10	B₁	123	117	3.43
11	B₂	3073	2908	0.08
12	B₂	1896	1794	606.54
13	B₂	1447	1370	19.03
14	B₂	1157	1095	631.13
15	B₂	716	678	40.22

Atom	y (Å)	z (Å)
O1	0.000	0.385
C2	1.179	-0.324
C3	-1.179	-0.324
O4	2.238	0.228
O5	-2.238	0.228
H6	1.045	-1.418
H7	-1.045	-1.418

	O1	C2	C3	O4	O5	H6	H7
O1		1.3751	1.3751	2.2432	2.2432	2.0833	2.0833
C2	1.3751		2.3571	1.1940	3.4604	1.1020	2.4780
C3	1.3751	2.3571		3.4604	1.1940	2.4780	1.1020
O4	2.2432	1.1940	3.4604		4.4754	2.0320	3.6718
O5	2.2432	3.4604	1.1940	4.4754		3.6718	2.0320
H6	2.0833	1.1020	2.4780	2.0320	3.6718		2.0899
H7	2.0833	2.4780	1.1020	3.6718	2.0320	2.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.495	O1	C2	H6	114.046
O1	C3	O5	121.495	C2	O1	C3	117.981
O4	C2	H6	124.459

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

using model chemistry: CCD/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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