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	hartrees
Energy at 0K	-302.604494
Energy at 298.15K
HF Energy	-301.597593
Nuclear repulsion energy	160.302120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3078	2903	59.66
2	A₁	1938	1827	26.75
3	A₁	1478	1393	0.03
4	A₁	1182	1115	103.04
5	A₁	555	523	0.69
6	A₁	288	271	14.69
7	A₂	1042	983	0.00
8	A₂	175	165	0.00
9	B₁	1051	991	0.09
10	B₁	129	122	4.83
11	B₂	3055	2881	1.42
12	B₂	1859	1753	708.22
13	B₂	1419	1338	14.85
14	B₂	1135	1070	686.26
15	B₂	723	682	45.79

Atom	y (Å)	z (Å)
O1	0.000	0.387
C2	1.169	-0.319
C3	-1.169	-0.319
O4	2.222	0.222
O5	-2.222	0.222
H6	1.027	-1.408
H7	-1.027	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3664	1.3664	2.2282	2.2282	2.0680	2.0680
C2	1.3664		2.3389	1.1836	3.4344	1.0974	2.4514
C3	1.3664	2.3389		3.4344	1.1836	2.4514	1.0974
O4	2.2282	1.1836	3.4344		4.4441	2.0206	3.6349
O5	2.2282	3.4344	1.1836	4.4441		3.6349	2.0206
H6	2.0680	1.0974	2.4514	2.0206	3.6349		2.0544
H7	2.0680	2.4514	1.0974	3.6349	2.0206	2.0544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.635	O1	C2	H6	113.699
O1	C3	O5	121.635	C2	O1	C3	117.705
O4	C2	H6	124.666

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

using model chemistry: CCSD/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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