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	hartrees
Energy at 0K	-525.887982
Energy at 298.15K	-525.891220
HF Energy	-524.571320
Nuclear repulsion energy	336.287585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3776	3634
2	A'	1859	1790
3	A'	1436	1382
4	A'	1293	1244
5	A'	1240	1194
6	A'	1151	1108
7	A'	804	774
8	A'	677	651
9	A'	597	574
10	A'	431	415
11	A'	392	378
12	A'	240	231
13	A"	1221	1175
14	A"	776	747
15	A"	580	558
16	A"	509	490
17	A"	246	237
18	A"	27	26

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	0.593	0.000
C2	-0.296	-0.906	0.000
O3	0.814	-1.659	0.000
O4	-1.430	-1.301	0.000
F5	-1.002	1.351	0.000
F6	0.814	0.888	1.086
F7	0.814	0.888	-1.086
H8	0.527	-2.586	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5480	2.3662	2.4279	1.3280	1.3387	1.3387	3.2093
C2	1.5480		1.3419	1.2003	2.3646	2.3732	2.3732	1.8708
O3	2.3662	1.3419		2.2725	3.5154	2.7693	2.7693	0.9705
O4	2.4279	1.2003	2.2725		2.6862	3.3178	3.3178	2.3409
F5	1.3280	2.3646	3.5154	2.6862		2.1657	2.1657	4.2233
F6	1.3387	2.3732	2.7693	3.3178	2.1657		2.1719	3.6515
F7	1.3387	2.3732	2.7693	3.3178	2.1657	2.1719		3.6515
H8	3.2093	1.8708	0.9705	2.3409	4.2233	3.6515	3.6515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.728	C1	C2	O4	123.621
C2	C1	F5	110.377	C2	C1	F6	110.387
C2	C1	F7	110.387	C2	O3	H8	106.912
O3	C2	O4	126.651	F5	C1	F6	108.605
F5	C1	F7	108.605	F6	C1	F7	108.422

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

using model chemistry: CCSD(T)/TZVP

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: CCSD(T)/TZVP

States and conformations

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