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	hartrees
Energy at 0K	-302.409493
Energy at 298.15K
HF Energy	-301.559948
Nuclear repulsion energy	160.086161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3078	2940	87.27
2	A₁	1968	1880	24.25
3	A₁	1495	1428	0.44
4	A₁	1190	1136	122.42
5	A₁	557	532	0.86
6	A₁	290	277	14.00
7	A₂	1055	1008	0.00
8	A₂	170	162	0.00
9	B₁	1059	1012	1.44
10	B₁	122	117	4.03
11	B₂	3053	2916	0.08
12	B₂	1894	1809	659.25
13	B₂	1443	1379	20.29
14	B₂	1148	1097	636.05
15	B₂	723	691	44.20

Atom	y (Å)	z (Å)
O1	0.000	0.394
C2	1.170	-0.318
C3	-1.170	-0.318
O4	2.226	0.217
O5	-2.226	0.217
H6	1.019	-1.409
H7	-1.019	-1.409

	O1	C2	C3	O4	O5	H6	H7
O1		1.3696	1.3696	2.2332	2.2332	2.0709	2.0709
C2	1.3696		2.3398	1.1838	3.4379	1.1015	2.4455
C3	1.3696	2.3398		3.4379	1.1838	2.4455	1.1015
O4	2.2332	1.1838	3.4379		4.4523	2.0250	3.6292
O5	2.2332	3.4379	1.1838	4.4523		3.6292	2.0250
H6	2.0709	1.1015	2.4455	2.0250	3.6292		2.0373
H7	2.0709	2.4455	1.1015	3.6292	2.0250	2.0373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.830	O1	C2	H6	113.434
O1	C3	O5	121.830	C2	O1	C3	117.348
O4	C2	H6	124.736

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

using model chemistry: CCD/6-311G**

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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