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	hartrees
Energy at 0K	-451.730236
Energy at 298.15K	-451.732615
HF Energy	-451.730236
Nuclear repulsion energy	251.807769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2956	2860	44.68
2	A'	1850	1790	106.67
3	A'	1403	1357	31.68
4	A'	1287	1245	128.20
5	A'	1175	1137	212.61
6	A'	834	807	38.31
7	A'	702	679	35.21
8	A'	519	502	15.22
9	A'	423	409	4.26
10	A'	251	243	5.52
11	A"	1151	1114	275.35
12	A"	974	943	26.36
13	A"	524	507	0.72
14	A"	307	297	1.35
15	A"	75	72	13.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.365	0.000
C2	0.500	-1.106	0.000
O3	-0.245	-2.037	0.000
F4	-1.305	0.462	0.000
F5	0.500	0.989	1.088
F6	0.500	0.989	-1.088
H7	1.600	-1.204	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5485	2.4160	1.3252	1.3439	1.3439	2.2293
C2	1.5485		1.1921	2.3908	2.3607	2.3607	1.1047
O3	2.4160	1.1921		2.7140	3.3004	3.3004	2.0246
F4	1.3252	2.3908	2.7140		2.1721	2.1721	3.3489
F5	1.3439	2.3607	3.3004	2.1721		2.1758	2.6840
F6	1.3439	2.3607	3.3004	2.1721	2.1758		2.6840
H7	2.2293	1.1047	2.0246	3.3489	2.6840	2.6840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.133	C1	C2	H7	113.267
C2	C1	F4	112.370	C2	C1	F5	109.202
C2	C1	F6	109.202	O3	C2	H7	123.600
F4	C1	F5	108.937	F4	C1	F6	108.937
F5	C1	F6	108.102

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)