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	hartrees
Energy at 0K	-302.528389
Energy at 298.15K
HF Energy	-301.584332
Nuclear repulsion energy	159.187792

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	3090	2944	79.94	124.94	0.26	0.42
2	A₁	1875	1786	14.06	33.65	0.17	0.29
3	A₁	1485	1415	0.72	5.82	0.33	0.50
4	A₁	1150	1095	109.21	3.92	0.26	0.41
5	A₁	540	514	0.18	10.07	0.30	0.46
6	A₁	283	269	13.40	0.79	0.55	0.71
7	A₂	1026	978	0.00	0.97	0.75	0.86
8	A₂	166	159	0.00	0.85	0.75	0.86
9	B₁	1029	980	0.09	2.27	0.75	0.86
10	B₁	121	115	3.93	0.16	0.75	0.86
11	B₂	3068	2923	0.48	0.38	0.75	0.86
12	B₂	1799	1714	616.46	2.71	0.75	0.86
13	B₂	1435	1367	11.60	8.37	0.75	0.86
14	B₂	1078	1027	741.13	1.73	0.75	0.86
15	B₂	714	680	44.80	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.397
C2	1.175	-0.322
C3	-1.175	-0.322
O4	2.239	0.218
O5	-2.239	0.218
H6	1.021	-1.407
H7	-1.021	-1.407

	O1	C2	C3	O4	O5	H6	H7
O1		1.3780	1.3780	2.2461	2.2461	2.0735	2.0735
C2	1.3780		2.3510	1.1928	3.4569	1.0967	2.4498
C3	1.3780	2.3510		3.4569	1.1928	2.4498	1.0967
O4	2.2461	1.1928	3.4569		4.4780	2.0318	3.6426
O5	2.2461	3.4569	1.1928	4.4780		3.6426	2.0318
H6	2.0735	1.0967	2.4498	2.0318	3.6426		2.0412
H7	2.0735	2.4498	1.0967	3.6426	2.0318	2.0412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.614	O1	C2	H6	113.341
O1	C3	O5	121.614	C2	O1	C3	117.082
O4	C2	H6	125.046

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

using model chemistry: MP2=FULL/TZVP

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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