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	hartrees
Energy at 0K	-517.443560
Energy at 298.15K	-517.445998
HF Energy	-517.172423
Nuclear repulsion energy	321.511532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3853	3359	18.50
2	A'	1820	1587	43.78
3	A'	1538	1341	9.99
4	A'	1402	1222	53.22
5	A'	1280	1116	69.64
6	A'	1159	1011	157.84
7	A'	779	679	0.80
8	A'	602	525	56.02
9	A'	545	475	13.95
10	A'	390	340	0.64
11	A'	341	297	1.82
12	A'	175	153	0.19
13	A"	1372	1196	92.66
14	A"	689	601	5.16
15	A"	606	529	74.49
16	A"	454	396	1.21
17	A"	213	185	0.09
18	A"	16	14	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.098	0.627	0.000
C2	-0.319	-0.943	0.000
O3	0.852	-1.728	0.000
O4	-1.487	-1.407	0.000
F5	-1.046	1.418	0.000
F6	0.852	0.938	1.127
F7	0.852	0.938	-1.127
H8	0.476	-2.675	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.6243	2.4732	2.5791	1.3901	1.3918	1.3918	3.3236
C2	1.6243		1.4107	1.2571	2.4694	2.4864	2.4864	1.9060
O3	2.4732	1.4107		2.3617	3.6740	2.8952	2.8952	1.0190
O4	2.5791	1.2571	2.3617		2.8591	3.4996	3.4996	2.3369
F5	1.3901	2.4694	3.6740	2.8591		2.2589	2.2589	4.3661
F6	1.3918	2.4864	2.8952	3.4996	2.2589		2.2547	3.8039
F7	1.3918	2.4864	2.8952	3.4996	2.2589	2.2547		3.8039
H8	3.3236	1.9060	1.0190	2.3369	4.3661	3.8039	3.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.952	C1	C2	O4	126.573
C2	C1	F5	109.769	C2	C1	F6	110.821
C2	C1	F7	110.821	C2	O3	H8	102.139
O3	C2	O4	124.475	F5	C1	F6	108.583
F5	C1	F7	108.583	F6	C1	F7	108.197

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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