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	hartrees
Energy at 0K	-301.875698
Energy at 298.15K
HF Energy	-301.302082
Nuclear repulsion energy	154.116186

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	2957	90.52	133.80	0.25	0.41
2	A₁	1723	1649	10.31	11.11	0.14	0.24
3	A₁	1468	1405	1.55	5.66	0.27	0.43
4	A₁	1039	994	97.87	7.25	0.28	0.44
5	A₁	498	477	0.57	15.26	0.38	0.55
6	A₁	250	239	10.84	0.83	0.62	0.76
7	A₂	999	956	0.00	1.67	0.75	0.86
8	A₂	155	149	0.00	0.78	0.75	0.86
9	B₁	1002	959	0.02	3.61	0.75	0.86
10	B₁	118	113	1.45	0.07	0.75	0.86
11	B₂	3076	2943	1.50	2.74	0.75	0.86
12	B₂	1644	1573	447.78	1.78	0.75	0.86
13	B₂	1429	1367	5.61	16.53	0.75	0.86
14	B₂	986	944	708.71	2.73	0.75	0.86
15	B₂	666	637	45.11	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		1.4253	1.4253	2.3210	2.3210	2.1181	2.1181
C2	1.4253		2.4525	1.2321	3.5887	1.0992	2.5588
C3	1.4253	2.4525		3.5887	1.2321	2.5588	1.0992
O4	2.3210	1.2321	3.5887		4.6322	2.0689	3.7901
O5	2.3210	3.5887	1.2321	4.6322		3.7901	2.0689
H6	2.1181	1.0992	2.5588	2.0689	3.7901		2.1771
H7	2.1181	2.5588	1.0992	3.7901	2.0689	2.1771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.547	O1	C2	H6	113.447
O1	C3	O5	121.547	C2	O1	C3	118.713
O4	C2	H6	125.006

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

using model chemistry: MP2/6-31G

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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