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	hartrees
Energy at 0K	-302.393055
Energy at 298.15K
HF Energy	-301.525478
Nuclear repulsion energy	158.346069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3069	3069	65.18
2	A₁	1878	1878	24.00
3	A₁	1444	1444	0.02
4	A₁	1143	1143	95.94
5	A₁	536	536	0.37
6	A₁	283	283	14.29
7	A₂	1008	1008	0.00
8	A₂	169	169	0.00
9	B₁	1021	1021	0.00
10	B₁	125	125	4.89
11	B₂	3046	3046	1.50
12	B₂	1800	1800	688.75
13	B₂	1389	1389	12.83
14	B₂	1075	1075	676.31
15	B₂	699	699	44.53

Atom	y (Å)	z (Å)
O1	0.000	0.401
C2	1.181	-0.324
C3	-1.181	-0.324
O4	2.249	0.220
O5	-2.249	0.220
H6	1.030	-1.421
H7	-1.030	-1.421

	O1	C2	C3	O4	O5	H6	H7
O1		1.3855	1.3855	2.2563	2.2563	2.0930	2.0930
C2	1.3855		2.3615	1.1988	3.4727	1.1076	2.4677
C3	1.3855	2.3615		3.4727	1.1988	2.4677	1.1076
O4	2.2563	1.1988	3.4727		4.4981	2.0446	3.6664
O5	2.2563	3.4727	1.1988	4.4981		3.6664	2.0446
H6	2.0930	1.1076	2.4677	2.0446	3.6664		2.0591
H7	2.0930	2.4677	1.1076	3.6664	2.0446	2.0591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.471	O1	C2	H6	113.705
O1	C3	O5	121.471	C2	O1	C3	116.901
O4	C2	H6	124.824

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

using model chemistry: QCISD/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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