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	hartrees
Energy at 0K	-302.425050
Energy at 298.15K
HF Energy	-301.558589
Nuclear repulsion energy	159.545153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3065	2924	93.36
2	A₁	1926	1837	25.79
3	A₁	1480	1412	0.14
4	A₁	1170	1116	116.93
5	A₁	548	523	0.64
6	A₁	287	273	13.86
7	A₂	1043	996	0.00
8	A₂	169	161	0.00
9	B₁	1048	1000	1.49
10	B₁	122	116	4.14
11	B₂	3039	2899	0.18
12	B₂	1850	1765	651.80
13	B₂	1430	1364	16.04
14	B₂	1117	1066	629.43
15	B₂	714	681	43.63

Atom	y (Å)	z (Å)
O1	0.000	0.398
C2	1.173	-0.319
C3	-1.173	-0.319
O4	2.234	0.216
O5	-2.234	0.216
H6	1.017	-1.410
H7	-1.017	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3746	1.3746	2.2417	2.2417	2.0742	2.0742
C2	1.3746		2.3460	1.1884	3.4490	1.1022	2.4467
C3	1.3746	2.3460		3.4490	1.1884	2.4467	1.1022
O4	2.2417	1.1884	3.4490		4.4685	2.0310	3.6351
O5	2.2417	3.4490	1.1884	4.4685		3.6351	2.0310
H6	2.0742	1.1022	2.4467	2.0310	3.6351		2.0340
H7	2.0742	2.4467	1.1022	3.6351	2.0310	2.0340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.831	O1	C2	H6	113.289
O1	C3	O5	121.831	C2	O1	C3	117.146
O4	C2	H6	124.880

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

using model chemistry: QCISD/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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