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	hartrees
Energy at 0K	-450.663682
Energy at 298.15K	-450.666189
HF Energy	-449.602097
Nuclear repulsion energy	253.255486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3028	2892	44.47
2	A'	1893	1808	59.54
3	A'	1442	1377	52.55
4	A'	1378	1316	166.06
5	A'	1273	1216	211.06
6	A'	873	834	37.77
7	A'	727	695	39.77
8	A'	547	522	18.02
9	A'	447	427	4.68
10	A'	264	252	6.24
11	A"	1267	1210	314.99
12	A"	995	950	6.37
13	A"	548	523	2.23
14	A"	327	312	0.90
15	A"	75	71	13.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.361	0.000
C2	0.501	-1.098	0.000
O3	-0.258	-2.022	0.000
F4	-1.297	0.455	0.000
F5	0.501	0.984	1.080
F6	0.501	0.984	-1.080
H7	1.601	-1.207	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5360	2.3996	1.3209	1.3363	1.3363	2.2265
C2	1.5360		1.1958	2.3753	2.3456	2.3456	1.1055
O3	2.3996	1.1958		2.6860	3.2834	3.2834	2.0293
F4	1.3209	2.3753	2.6860		2.1631	2.1631	3.3405
F5	1.3363	2.3456	3.2834	2.1631		2.1607	2.6796
F6	1.3363	2.3456	3.2834	2.1631	2.1607		2.6796
H7	2.2265	1.1055	2.0293	3.3405	2.6796	2.6796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.413	C1	C2	H7	113.903
C2	C1	F4	112.274	C2	C1	F5	109.302
C2	C1	F6	109.302	O3	C2	H7	123.683
F4	C1	F5	108.986	F4	C1	F6	108.986
F5	C1	F6	107.892

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCD/6-311G*

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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All results from a given calculation for CF3CHO (trifluoroacetaldehyde)

using model chemistry: CCD/6-311G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)