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	hartrees
Energy at 0K	-450.476036
Energy at 298.15K	-450.478421
HF Energy	-449.479964
Nuclear repulsion energy	251.608094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3028	2939
2	A'	1827	1773
3	A'	1428	1386
4	A'	1370	1330
5	A'	1260	1223
6	A'	862	837
7	A'	705	684
8	A'	528	513
9	A'	433	421
10	A'	257	250
11	A"	1251	1214
12	A"	975	946
13	A"	527	512
14	A"	314	305
15	A"	63	61

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.359	0.000
C2	0.506	-1.092	0.000
O3	-0.268	-2.027	0.000
F4	-1.307	0.446	0.000
F5	0.506	0.989	1.091
F6	0.506	0.989	-1.091
H7	1.607	-1.203	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5293	2.4032	1.3336	1.3492	1.3492	2.2237
C2	1.5293		1.2133	2.3780	2.3500	2.3500	1.1062
O3	2.4032	1.2133		2.6822	3.2990	3.2990	2.0479
F4	1.3336	2.3780	2.6822		2.1847	2.1847	3.3481
F5	1.3492	2.3500	3.2990	2.1847		2.1820	2.6843
F6	1.3492	2.3500	3.2990	2.1847	2.1820		2.6843
H7	2.2237	1.1062	2.0479	3.3481	2.6843	2.6843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	121.961	C1	C2	H7	114.118
C2	C1	F4	112.146	C2	C1	F5	109.293
C2	C1	F6	109.293	O3	C2	H7	123.921
F4	C1	F5	109.045	F4	C1	F6	109.045
F5	C1	F6	107.927

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCSD(T)=FULL/6-31G*

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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All results from a given calculation for CF3CHO (trifluoroacetaldehyde)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)