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	hartrees
Energy at 0K	-302.602001
Energy at 298.15K
HF Energy	-301.595432
Nuclear repulsion energy	159.551405

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	3076	2902	60.91	121.52	0.25	0.39
2	A₁	1875	1769	17.11	46.36	0.15	0.26
3	A₁	1455	1373	0.69	5.68	0.33	0.50
4	A₁	1149	1084	97.51	2.90	0.11	0.20
5	A₁	539	508	0.40	9.61	0.21	0.35
6	A₁	282	266	13.34	0.60	0.39	0.56
7	A₂	1022	965	0.00	0.41	0.75	0.86
8	A₂	181	171	0.00	0.50	0.75	0.86
9	B₁	1030	972	0.04	1.59	0.75	0.86
10	B₁	130	122	4.75	0.08	0.75	0.86
11	B₂	3055	2882	2.01	0.10	0.75	0.86
12	B₂	1798	1697	639.68	2.50	0.75	0.86
13	B₂	1396	1317	9.28	4.76	0.75	0.86
14	B₂	1084	1022	730.51	2.09	0.75	0.86
15	B₂	710	669	42.08	0.07	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.395
C2	1.172	-0.321
C3	-1.172	-0.321
O4	2.234	0.219
O5	-2.234	0.219
H6	1.019	-1.408
H7	-1.019	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3735	1.3735	2.2405	2.2405	2.0702	2.0702
C2	1.3735		2.3447	1.1907	3.4485	1.0976	2.4456
C3	1.3735	2.3447		3.4485	1.1907	2.4456	1.0976
O4	2.2405	1.1907	3.4485		4.4672	2.0304	3.6363
O5	2.2405	3.4485	1.1907	4.4672		3.6363	2.0304
H6	2.0702	1.0976	2.4456	2.0304	3.6363		2.0371
H7	2.0702	2.4456	1.0976	3.6363	2.0304	2.0371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.634	O1	C2	H6	113.344
O1	C3	O5	121.634	C2	O1	C3	117.200
O4	C2	H6	125.021

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

using model chemistry: MP2/6-311+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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