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	hartrees
Energy at 0K	-301.881500
Energy at 298.15K
HF Energy	-301.302158
Nuclear repulsion energy	154.133451

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	3091	2937	90.39	133.75	0.25	0.41
2	A₁	1723	1637	10.32	11.15	0.14	0.24
3	A₁	1469	1395	1.55	5.66	0.27	0.43
4	A₁	1039	988	97.90	7.25	0.28	0.44
5	A₁	498	474	0.58	15.25	0.38	0.55
6	A₁	250	238	10.83	0.83	0.62	0.76
7	A₂	1000	950	0.00	1.67	0.75	0.86
8	A₂	155	148	0.00	0.78	0.75	0.86
9	B₁	1003	953	0.02	3.60	0.75	0.86
10	B₁	118	112	1.44	0.07	0.75	0.86
11	B₂	3076	2922	1.50	2.74	0.75	0.86
12	B₂	1645	1563	447.91	1.78	0.75	0.86
13	B₂	1429	1358	5.57	16.54	0.75	0.86
14	B₂	987	938	708.59	2.73	0.75	0.86
15	B₂	666	633	45.05	0.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.389
C2	1.226	-0.338
C3	-1.226	-0.338
O4	2.316	0.237
O5	-2.316	0.237
H6	1.089	-1.428
H7	-1.089	-1.428

	O1	C2	C3	O4	O5	H6	H7
O1		1.4250	1.4250	2.3208	2.3208	2.1179	2.1179
C2	1.4250		2.4523	1.2320	3.5884	1.0991	2.5588
C3	1.4250	2.4523		3.5884	1.2320	2.5588	1.0991
O4	2.3208	1.2320	3.5884		4.6317	2.0686	3.7900
O5	2.3208	3.5884	1.2320	4.6317		3.7900	2.0686
H6	2.1179	1.0991	2.5588	2.0686	3.7900		2.1774
H7	2.1179	2.5588	1.0991	3.7900	2.0686	2.1774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.552	O1	C2	H6	113.449
O1	C3	O5	121.552	C2	O1	C3	118.732
O4	C2	H6	124.999

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

using model chemistry: MP2=FULL/6-31G

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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