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	hartrees
Energy at 0K	-302.420642
Energy at 298.15K
HF Energy	-301.559177
Nuclear repulsion energy	159.765277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	3071	89.28
2	A₁	1943	1943	25.45
3	A₁	1487	1487	0.28
4	A₁	1179	1179	118.89
5	A₁	552	552	0.74
6	A₁	288	288	13.98
7	A₂	1048	1048	0.00
8	A₂	169	169	0.00
9	B₁	1053	1053	1.40
10	B₁	122	122	4.13
11	B₂	3046	3046	0.12
12	B₂	1868	1868	655.86
13	B₂	1435	1435	17.98
14	B₂	1131	1131	633.03
15	B₂	718	718	43.71

Atom	y (Å)	z (Å)
O1	0.000	0.397
C2	1.172	-0.318
C3	-1.172	-0.318
O4	2.231	0.216
O5	-2.231	0.216
H6	1.018	-1.409
H7	-1.018	-1.409

	O1	C2	C3	O4	O5	H6	H7
O1		1.3725	1.3725	2.2383	2.2383	2.0728	2.0728
C2	1.3725		2.3434	1.1866	3.4445	1.1017	2.4462
C3	1.3725	2.3434		3.4445	1.1866	2.4462	1.1017
O4	2.2383	1.1866	3.4445		4.4621	2.0282	3.6327
O5	2.2383	3.4445	1.1866	4.4621		3.6327	2.0282
H6	2.0728	1.1017	2.4462	2.0282	3.6327		2.0356
H7	2.0728	2.4462	1.1017	3.6327	2.0282	2.0356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.840	O1	C2	H6	113.358
O1	C3	O5	121.840	C2	O1	C3	117.224
O4	C2	H6	124.802

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

using model chemistry: CCSD/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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