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	hartrees
Energy at 0K	-302.359908
Energy at 298.15K
HF Energy	-301.501881
Nuclear repulsion energy	158.564208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3043	2931
2	A₁	1906	1836
3	A₁	1447	1394
4	A₁	1160	1117
5	A₁	536	517
6	A₁	278	268
7	A₂	1020	983
8	A₂	181	174
9	B₁	1024	987
10	B₁	124	119
11	B₂	3019	2908
12	B₂	1830	1763
13	B₂	1400	1349
14	B₂	1093	1053
15	B₂	701	675

Atom	y (Å)	z (Å)
O1	0.000	0.408
C2	1.175	-0.320
C3	-1.175	-0.320
O4	2.248	0.213
O5	-2.248	0.213
H6	1.008	-1.421
H7	-1.008	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3826	1.3826	2.2560	2.2560	2.0882	2.0882
C2	1.3826		2.3509	1.1974	3.4643	1.1138	2.4451
C3	1.3826	2.3509		3.4643	1.1974	2.4451	1.1138
O4	2.2560	1.1974	3.4643		4.4952	2.0514	3.6424
O5	2.2560	3.4643	1.1974	4.4952		3.6424	2.0514
H6	2.0882	1.1138	2.4451	2.0514	3.6424		2.0153
H7	2.0882	2.4451	1.1138	3.6424	2.0514	2.0153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.791	O1	C2	H6	113.103
O1	C3	O5	121.791	C2	O1	C3	116.464
O4	C2	H6	125.106

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

using model chemistry: CCSD(T)=FULL/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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