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	hartrees
Energy at 0K	-525.832638
Energy at 298.15K	-525.835971
HF Energy	-524.574091
Nuclear repulsion energy	337.882671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3848	3648	97.71
2	A'	1935	1835	276.27
3	A'	1470	1394	55.28
4	A'	1329	1260	133.91
5	A'	1272	1206	232.27
6	A'	1187	1125	345.53
7	A'	826	783	2.55
8	A'	695	658	77.68
9	A'	611	579	9.99
10	A'	442	419	0.16
11	A'	401	380	2.20
12	A'	245	233	0.96
13	A"	1264	1199	309.32
14	A"	800	758	31.01
15	A"	583	553	109.10
16	A"	518	491	16.07
17	A"	252	239	0.19
18	A"	30	28	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.088	0.593	0.000
C2	-0.294	-0.905	0.000
O3	0.809	-1.654	0.000
O4	-1.419	-1.297	0.000
F5	-0.998	1.345	0.000
F6	0.809	0.886	1.080
F7	0.809	0.886	-1.080
H8	0.534	-2.580	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5454	2.3595	2.4167	1.3214	1.3317	1.3317	3.2037
C2	1.5454		1.3338	1.1909	2.3575	2.3645	2.3645	1.8688
O3	2.3595	1.3338		2.2565	3.5016	2.7599	2.7599	0.9659
O4	2.4167	1.1909	2.2565		2.6753	3.3008	3.3008	2.3368
F5	1.3214	2.3575	3.5016	2.6753		2.1553	2.1553	4.2136
F6	1.3317	2.3645	2.7599	3.3008	2.1553		2.1605	3.6405
F7	1.3317	2.3645	2.7599	3.3008	2.1553	2.1605		3.6405
H8	3.2037	1.8688	0.9659	2.3368	4.2136	3.6405	3.6405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.851	C1	C2	O4	123.539
C2	C1	F5	110.397	C2	C1	F6	110.324
C2	C1	F7	110.324	C2	O3	H8	107.628
O3	C2	O4	126.610	F5	C1	F6	108.657
F5	C1	F7	108.657	F6	C1	F7	108.426

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

using model chemistry: CCD/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: CCD/TZVP

States and conformations

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