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	hartrees
Energy at 0K	-302.443113
Energy at 298.15K
HF Energy	-301.584000
Nuclear repulsion energy	159.076690

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	2929	80.30	125.32	0.26	0.42
2	A₁	1872	1775	13.96	33.53	0.17	0.28
3	A₁	1484	1407	0.72	5.82	0.33	0.50
4	A₁	1149	1089	109.09	3.96	0.26	0.41
5	A₁	539	511	0.17	10.13	0.30	0.46
6	A₁	283	268	13.42	0.79	0.55	0.71
7	A₂	1024	971	0.00	0.97	0.75	0.86
8	A₂	166	157	0.00	0.84	0.75	0.86
9	B₁	1027	973	0.08	2.28	0.75	0.86
10	B₁	120	114	3.94	0.16	0.75	0.86
11	B₂	3068	2909	0.46	0.39	0.75	0.86
12	B₂	1797	1703	615.42	2.72	0.75	0.86
13	B₂	1433	1359	11.81	8.39	0.75	0.86
14	B₂	1075	1019	741.23	1.75	0.75	0.86
15	B₂	713	676	44.80	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.398
C2	1.176	-0.322
C3	-1.176	-0.322
O4	2.240	0.218
O5	-2.240	0.218
H6	1.021	-1.408
H7	-1.021	-1.408

	O1	C2	C3	O4	O5	H6	H7
O1		1.3792	1.3792	2.2477	2.2477	2.0750	2.0750
C2	1.3792		2.3524	1.1936	3.4592	1.0974	2.4510
C3	1.3792	2.3524		3.4592	1.1936	2.4510	1.0974
O4	2.2477	1.1936	3.4592		4.4810	2.0331	3.6445
O5	2.2477	3.4592	1.1936	4.4810		3.6445	2.0331
H6	2.0750	1.0974	2.4510	2.0331	3.6445		2.0417
H7	2.0750	2.4510	1.0974	3.6445	2.0331	2.0417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.601	O1	C2	H6	113.342
O1	C3	O5	121.601	C2	O1	C3	117.040
O4	C2	H6	125.057

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

using model chemistry: MP2/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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