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	hartrees
Energy at 0K	-59.539640
Energy at 298.15K
HF Energy	-59.034518
Nuclear repulsion energy	81.875736

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	3081	2977	145.21	143.41	0.28	0.44
2	A₁	1657	1601	4.21	18.96	0.11	0.20
3	A₁	1419	1371	2.38	7.55	0.26	0.41
4	A₁	1003	969	101.35	6.00	0.36	0.53
5	A₁	475	459	0.16	17.60	0.35	0.52
6	A₁	240	232	14.23	0.55	0.56	0.72
7	A₂	946	914	0.00	0.61	0.75	0.86
8	A₂	150	145	0.00	0.74	0.75	0.86
9	B₁	948	916	2.38	0.60	0.75	0.86
10	B₁	117	113	2.16	0.05	0.75	0.86
11	B₂	3064	2961	0.10	2.45	0.75	0.86
12	B₂	1581	1528	505.06	1.86	0.75	0.86
13	B₂	1377	1330	15.00	16.66	0.75	0.86
14	B₂	956	923	803.11	3.49	0.75	0.86
15	B₂	636	614	45.72	0.04	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.400
C2	1.240	-0.345
C3	-1.240	-0.345
O4	2.345	0.239
O5	-2.345	0.239
H6	1.098	-1.447
H7	-1.098	-1.447

	O1	C2	C3	O4	O5	H6	H7
O1		1.4470	1.4470	2.3509	2.3509	2.1486	2.1486
C2	1.4470		2.4808	1.2500	3.6331	1.1109	2.5850
C3	1.4470	2.4808		3.6331	1.2500	2.5850	1.1109
O4	2.3509	1.2500	3.6331		4.6909	2.0973	3.8341
O5	2.3509	3.6331	1.2500	4.6909		3.8341	2.0973
H6	2.1486	1.1109	2.5850	2.0973	3.8341		2.1962
H7	2.1486	2.5850	1.1109	3.8341	2.0973	2.1962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.140	O1	C2	H6	113.633
O1	C3	O5	121.140	C2	O1	C3	118.016
O4	C2	H6	125.228

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

using model chemistry: MP2/CEP-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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