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	hartrees
Energy at 0K	-302.650505
Energy at 298.15K
HF Energy	-301.595597
Nuclear repulsion energy	159.571305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3045	3005
2	A₁	1890	1866
3	A₁	1452	1433
4	A₁	1154	1139
5	A₁	542	535
6	A₁	282	279
7	A₂	1015	1002
8	A₂	174	172
9	B₁	1024	1010
10	B₁	128	126
11	B₂	3023	2984
12	B₂	1812	1788
13	B₂	1395	1376
14	B₂	1092	1078
15	B₂	708	699

Atom	y (Å)	z (Å)
O1	0.000	0.396
C2	1.173	-0.321
C3	-1.173	-0.321
O4	2.233	0.219
O5	-2.233	0.219
H6	1.022	-1.410
H7	-1.022	-1.410

	O1	C2	C3	O4	O5	H6	H7
O1		1.3741	1.3741	2.2395	2.2395	2.0750	2.0750
C2	1.3741		2.3453	1.1894	3.4477	1.0997	2.4504
C3	1.3741	2.3453		3.4477	1.1894	2.4504	1.0997
O4	2.2395	1.1894	3.4477		4.4651	2.0295	3.6398
O5	2.2395	3.4477	1.1894	4.4651		3.6398	2.0295
H6	2.0750	1.0997	2.4504	2.0295	3.6398		2.0446
H7	2.0750	2.4504	1.0997	3.6398	2.0295	2.0446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.589	O1	C2	H6	113.561
O1	C3	O5	121.589	C2	O1	C3	117.160
O4	C2	H6	124.850

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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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