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	hartrees
Energy at 0K	-525.496180
Energy at 298.15K	-525.499418
HF Energy	-524.373945
Nuclear repulsion energy	335.704931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3813	3570	96.50
2	A'	1872	1753	203.16
3	A'	1478	1385	47.71
4	A'	1314	1230	150.34
5	A'	1253	1174	193.48
6	A'	1165	1091	314.91
7	A'	807	755	3.96
8	A'	664	622	73.21
9	A'	592	554	10.02
10	A'	426	399	0.11
11	A'	396	371	2.39
12	A'	241	226	1.13
13	A"	1252	1173	282.71
14	A"	787	737	38.10
15	A"	623	583	113.76
16	A"	503	471	0.58
17	A"	241	226	0.08
18	A"	30	28	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.088	0.588	0.000
C2	-0.296	-0.896	0.000
O3	0.820	-1.646	0.000
O4	-1.438	-1.301	0.000
F5	-1.009	1.353	0.000
F6	0.820	0.878	1.092
F7	0.820	0.878	-1.092
H8	0.531	-2.573	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5328	2.3507	2.4282	1.3366	1.3462	1.3462	3.1926
C2	1.5328		1.3445	1.2115	2.3583	2.3632	2.3632	1.8705
O3	2.3507	1.3445		2.2839	3.5116	2.7501	2.7501	0.9718
O4	2.4282	1.2115	2.2839		2.6876	3.3223	3.3223	2.3444
F5	1.3366	2.3583	3.5116	2.6876		2.1819	2.1819	4.2169
F6	1.3462	2.3632	2.7501	3.3223	2.1819		2.1842	3.6319
F7	1.3462	2.3632	2.7501	3.3223	2.1819	2.1842		3.6319
H8	3.1926	1.8705	0.9718	2.3444	4.2169	3.6319	3.6319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.393	C1	C2	O4	124.037
C2	C1	F5	110.359	C2	C1	F6	110.169
C2	C1	F7	110.169	C2	O3	H8	106.604
O3	C2	O4	126.570	F5	C1	F6	108.833
F5	C1	F7	108.833	F6	C1	F7	108.433

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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