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	hartrees
Energy at 0K	-525.529783
Energy at 298.15K	-525.533056
HF Energy	-524.392954
Nuclear repulsion energy	335.977178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3638	107.43
2	A'	1927	1815	281.75
3	A'	1479	1393	63.64
4	A'	1315	1239	132.26
5	A'	1257	1185	231.85
6	A'	1181	1113	324.08
7	A'	813	766	5.19
8	A'	674	635	78.62
9	A'	594	560	9.97
10	A'	429	404	0.15
11	A'	398	375	2.23
12	A'	245	231	1.22
13	A"	1247	1175	303.69
14	A"	795	749	34.44
15	A"	592	558	122.09
16	A"	507	478	2.58
17	A"	251	236	0.12
18	A"	34	32	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.086	0.590	0.000
C2	-0.295	-0.904	0.000
O3	0.816	-1.653	0.000
O4	-1.429	-1.300	0.000
F5	-1.008	1.354	0.000
F6	0.816	0.883	1.090
F7	0.816	0.883	-1.090
H8	0.550	-2.584	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5411	2.3583	2.4219	1.3339	1.3445	1.3445	3.2077
C2	1.5411		1.3393	1.2019	2.3676	2.3695	2.3695	1.8808
O3	2.3583	1.3393		2.2726	3.5163	2.7604	2.7604	0.9685
O4	2.4219	1.2019	2.2726		2.6870	3.3157	3.3157	2.3597
F5	1.3339	2.3676	3.5163	2.6870		2.1759	2.1759	4.2350
F6	1.3445	2.3695	2.7604	3.3157	2.1759		2.1807	3.6444
F7	1.3445	2.3695	2.7604	3.3157	2.1759	2.1807		3.6444
H8	3.2077	1.8808	0.9685	2.3597	4.2350	3.6444	3.6444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.720	C1	C2	O4	123.523
C2	C1	F5	110.665	C2	C1	F6	110.210
C2	C1	F7	110.210	C2	O3	H8	108.094
O3	C2	O4	126.757	F5	C1	F6	108.657
F5	C1	F7	108.657	F6	C1	F7	108.384

All results from a given calculation for CF₃COOH (trifluoroacetic acid)

using model chemistry: CCD/6-31+G**

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 CF3COOH (trifluoroacetic acid)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for CF₃COOH (trifluoroacetic acid)