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	hartrees
Energy at 0K	-525.560027
Energy at 298.15K	-525.563205
HF Energy	-524.366031
Nuclear repulsion energy	335.082025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3668	3527
2	A'	1841	1770
3	A'	1463	1407
4	A'	1305	1255
5	A'	1251	1203
6	A'	1152	1108
7	A'	794	764
8	A'	656	631
9	A'	585	562
10	A'	421	405
11	A'	391	376
12	A'	237	228
13	A"	1243	1195
14	A"	778	748
15	A"	620	596
16	A"	498	479
17	A"	239	230
18	A"	31	29

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	0.589	0.000
C2	-0.298	-0.896	0.000
O3	0.821	-1.648	0.000
O4	-1.442	-1.303	0.000
F5	-1.010	1.355	0.000
F6	0.821	0.880	1.093
F7	0.821	0.880	-1.093
H8	0.528	-2.585	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5349	2.3546	2.4337	1.3389	1.3479	1.3479	3.2041
C2	1.5349		1.3483	1.2146	2.3612	2.3667	2.3667	1.8794
O3	2.3546	1.3483		2.2898	3.5176	2.7544	2.7544	0.9811
O4	2.4337	1.2146	2.2898		2.6928	3.3289	3.3289	2.3505
F5	1.3389	2.3612	3.5176	2.6928		2.1849	2.1849	4.2291
F6	1.3479	2.3667	2.7544	3.3289	2.1849		2.1870	3.6446
F7	1.3479	2.3667	2.7544	3.3289	2.1849	2.1870		3.6446
H8	3.2041	1.8794	0.9811	2.3505	4.2291	3.6446	3.6446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.336	C1	C2	O4	124.128
C2	C1	F5	110.316	C2	C1	F6	110.200
C2	C1	F7	110.200	C2	O3	H8	106.512
O3	C2	O4	126.536	F5	C1	F6	108.820
F5	C1	F7	108.820	F6	C1	F7	108.438

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

using model chemistry: MP4=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 CF3COOH (trifluoroacetic acid)

using model chemistry: MP4=FULL/6-31G*

States and conformations

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