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	hartrees
Energy at 0K	-522.151615
Energy at 298.15K	-522.154908
HF Energy	-521.493917
Nuclear repulsion energy	334.544132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3717	3463	78.29
2	A'	1916	1785	191.87
3	A'	1488	1387	38.36
4	A'	1385	1291	148.33
5	A'	1294	1206	191.93
6	A'	1163	1083	326.56
7	A'	805	750	3.48
8	A'	674	628	83.87
9	A'	599	558	21.82
10	A'	437	407	0.36
11	A'	397	370	2.73
12	A'	233	217	1.30
13	A"	1348	1256	249.77
14	A"	803	748	26.52
15	A"	602	561	196.02
16	A"	506	472	1.35
17	A"	242	226	0.16
18	A"	42	39	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.086	0.582	0.000
C2	-0.306	-0.887	0.000
O3	0.825	-1.632	0.000
O4	-1.437	-1.307	0.000
F5	-1.029	1.347	0.000
F6	0.825	0.878	1.099
F7	0.825	0.878	-1.099
H8	0.624	-2.592	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5196	2.3338	2.4260	1.3525	1.3575	1.3575	3.2192
C2	1.5196		1.3542	1.2071	2.3482	2.3666	2.3666	1.9423
O3	2.3338	1.3542		2.2856	3.5091	2.7399	2.7399	0.9813
O4	2.4260	1.2071	2.2856		2.6851	3.3316	3.3316	2.4290
F5	1.3525	2.3482	3.5091	2.6851		2.2063	2.2063	4.2722
F6	1.3575	2.3666	2.7399	3.3316	2.2063		2.1984	3.6456
F7	1.3575	2.3666	2.7399	3.3316	2.2063	2.1984		3.6456
H8	3.2192	1.9423	0.9813	2.4290	4.2722	3.6456	3.6456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.462	C1	C2	O4	125.284
C2	C1	F5	109.552	C2	C1	F6	110.556
C2	C1	F7	110.556	C2	O3	H8	111.539
O3	C2	O4	126.255	F5	C1	F6	108.999
F5	C1	F7	108.999	F6	C1	F7	108.138

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

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

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