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	hartrees
Energy at 0K	-302.505921
Energy at 298.15K
HF Energy	-301.557584
Nuclear repulsion energy	159.275456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3077	2919	94.41	122.94	0.26	0.41
2	A₁	1893	1796	16.21	23.84	0.19	0.32
3	A₁	1472	1396	0.24	4.97	0.32	0.48
4	A₁	1157	1097	115.00	4.12	0.28	0.44
5	A₁	540	513	0.49	9.71	0.34	0.50
6	A₁	284	269	12.55	0.82	0.51	0.68
7	A₂	1038	985	0.00	1.34	0.75	0.86
8	A₂	179	170	0.00	0.50	0.75	0.86
9	B₁	1042	988	0.47	2.46	0.75	0.86
10	B₁	125	119	4.05	0.15	0.75	0.86
11	B₂	3054	2897	0.33	0.72	0.75	0.86
12	B₂	1819	1726	587.22	3.22	0.75	0.86
13	B₂	1420	1347	11.84	8.68	0.75	0.86
14	B₂	1091	1035	671.69	1.81	0.75	0.86
15	B₂	710	673	40.10	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.403
C2	1.173	-0.318
C3	-1.173	-0.318
O4	2.239	0.213
O5	-2.239	0.213
H6	1.007	-1.407
H7	-1.007	-1.407

	O1	C2	C3	O4	O5	H6	H7
O1		1.3769	1.3769	2.2473	2.2473	2.0711	2.0711
C2	1.3769		2.3458	1.1917	3.4534	1.1009	2.4368
C3	1.3769	2.3458		3.4534	1.1917	2.4368	1.1009
O4	2.2473	1.1917	3.4534		4.4787	2.0354	3.6285
O5	2.2473	3.4534	1.1917	4.4787		3.6285	2.0354
H6	2.0711	1.1009	2.4368	2.0354	3.6285		2.0147
H7	2.0711	2.4368	1.1009	3.6285	2.0354	2.0147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.905	O1	C2	H6	112.938
O1	C3	O5	121.905	C2	O1	C3	116.825
O4	C2	H6	125.156

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

using model chemistry: MP2=FULL/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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