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	hartrees
Energy at 0K	-302.321322
Energy at 298.15K
HF Energy	-301.503650
Nuclear repulsion energy	159.099277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3070	2908	91.36
2	A₁	1947	1844	26.85
3	A₁	1467	1390	0.47
4	A₁	1184	1121	117.09
5	A₁	550	521	0.83
6	A₁	288	273	12.99
7	A₂	1040	985	0.00
8	A₂	175	166	0.00
9	B₁	1044	989	1.45
10	B₁	123	117	3.95
11	B₂	3045	2884	0.00
12	B₂	1870	1771	650.94
13	B₂	1418	1343	20.55
14	B₂	1131	1071	608.93
15	B₂	715	678	37.91

Atom	y (Å)	z (Å)
O1	0.000	0.402
C2	1.173	-0.319
C3	-1.173	-0.319
O4	2.240	0.216
O5	-2.240	0.216
H6	1.013	-1.420
H7	-1.013	-1.420

	O1	C2	C3	O4	O5	H6	H7
O1		1.3769	1.3769	2.2472	2.2472	2.0843	2.0843
C2	1.3769		2.3466	1.1930	3.4545	1.1124	2.4481
C3	1.3769	2.3466		3.4545	1.1930	2.4481	1.1124
O4	2.2472	1.1930	3.4545		4.4790	2.0445	3.6410
O5	2.2472	3.4545	1.1930	4.4790		3.6410	2.0445
H6	2.0843	1.1124	2.4481	2.0445	3.6410		2.0266
H7	2.0843	2.4481	1.1124	3.6410	2.0445	2.0266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.795	O1	C2	H6	113.288
O1	C3	O5	121.795	C2	O1	C3	116.887
O4	C2	H6	124.917

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

using model chemistry: CCSD/cc-pVDZ

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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