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	hartrees
Energy at 0K	-302.376955
Energy at 298.15K
HF Energy	-301.523673
Nuclear repulsion energy	157.874596

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	3080	3080	63.84	130.20	0.23	0.38
2	A₁	1837	1837	14.83	49.24	0.14	0.24
3	A₁	1432	1432	0.97	5.86	0.34	0.51
4	A₁	1123	1123	94.17	3.08	0.10	0.18
5	A₁	526	526	0.23	10.80	0.20	0.33
6	A₁	279	279	13.12	0.54	0.35	0.51
7	A₂	998	998	0.00	0.25	0.75	0.86
8	A₂	180	180	0.00	0.50	0.75	0.86
9	B₁	1009	1009	0.30	1.59	0.75	0.86
10	B₁	128	128	4.82	0.08	0.75	0.86
11	B₂	3059	3059	1.98	0.03	0.75	0.86
12	B₂	1761	1761	627.88	2.20	0.75	0.86
13	B₂	1376	1376	9.28	4.79	0.75	0.86
14	B₂	1040	1040	732.63	2.31	0.75	0.86
15	B₂	692	692	41.38	0.08	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.407
C2	1.182	-0.324
C3	-1.182	-0.324
O4	2.257	0.217
O5	-2.257	0.217
H6	1.021	-1.419
H7	-1.021	-1.419

	O1	C2	C3	O4	O5	H6	H7
O1		1.3901	1.3901	2.2649	2.2649	2.0922	2.0922
C2	1.3901		2.3640	1.2037	3.4814	1.1065	2.4598
C3	1.3901	2.3640		3.4814	1.2037	2.4598	1.1065
O4	2.2649	1.2037	3.4814		4.5139	2.0508	3.6635
O5	2.2649	3.4814	1.2037	4.5139		3.6635	2.0508
H6	2.0922	1.1065	2.4598	2.0508	3.6635		2.0415
H7	2.0922	2.4598	1.1065	3.6635	2.0508	2.0415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.499	O1	C2	H6	113.374
O1	C3	O5	121.499	C2	O1	C3	116.490
O4	C2	H6	125.127

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

using model chemistry: MP2/daug-cc-pVDZ

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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