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	hartrees
Energy at 0K	-302.383472
Energy at 298.15K
HF Energy	-301.524239
Nuclear repulsion energy	158.538618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	2967	61.28
2	A₁	1894	1825	24.07
3	A₁	1446	1393	0.01
4	A₁	1153	1111	98.37
5	A₁	540	520	0.49
6	A₁	284	274	14.74
7	A₂	1019	982	0.00
8	A₂	172	166	0.00
9	B₁	1026	989	0.00
10	B₁	125	120	4.97
11	B₂	3058	2946	1.10
12	B₂	1816	1750	690.97
13	B₂	1391	1340	14.44
14	B₂	1090	1050	678.16
15	B₂	703	677	45.36

Atom	y (Å)	z (Å)
O1	0.000	0.400
C2	1.179	-0.324
C3	-1.179	-0.324
O4	2.246	0.221
O5	-2.246	0.221
H6	1.031	-1.422
H7	-1.031	-1.422

	O1	C2	C3	O4	O5	H6	H7
O1		1.3835	1.3835	2.2529	2.2529	2.0929	2.0929
C2	1.3835		2.3589	1.1973	3.4683	1.1079	2.4684
C3	1.3835	2.3589		3.4683	1.1973	2.4684	1.1079
O4	2.2529	1.1973	3.4683		4.4917	2.0426	3.6656
O5	2.2529	3.4683	1.1973	4.4917		3.6656	2.0426
H6	2.0929	1.1079	2.4684	2.0426	3.6656		2.0627
H7	2.0929	2.4684	1.1079	3.6656	2.0426	2.0627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.443	O1	C2	H6	113.830
O1	C3	O5	121.443	C2	O1	C3	116.971
O4	C2	H6	124.727

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

using model chemistry: CCSD/aug-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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