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	hartrees
Energy at 0K	-525.890554
Energy at 298.15K	-525.893784
HF Energy	-524.570984
Nuclear repulsion energy	336.103885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3771	3632
2	A'	1854	1785
3	A'	1432	1379
4	A'	1289	1242
5	A'	1237	1191
6	A'	1147	1104
7	A'	802	772
8	A'	675	650
9	A'	595	573
10	A'	430	414
11	A'	391	377
12	A'	239	231
13	A"	1217	1172
14	A"	774	745
15	A"	581	559
16	A"	508	489
17	A"	246	237
18	A"	27	26

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	0.593	0.000
C2	-0.297	-0.906	0.000
O3	0.815	-1.660	0.000
O4	-1.431	-1.302	0.000
F5	-1.002	1.352	0.000
F6	0.815	0.889	1.087
F7	0.815	0.889	-1.087
H8	0.527	-2.587	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5484	2.3669	2.4292	1.3289	1.3395	1.3395	3.2100
C2	1.5484		1.3428	1.2011	2.3657	2.3744	2.3744	1.8714
O3	2.3669	1.3428		2.2741	3.5171	2.7704	2.7704	0.9708
O4	2.4292	1.2011	2.2741		2.6879	3.3198	3.3198	2.3418
F5	1.3289	2.3657	3.5171	2.6879		2.1669	2.1669	4.2249
F6	1.3395	2.3744	2.7704	3.3198	2.1669		2.1731	3.6527
F7	1.3395	2.3744	2.7704	3.3198	2.1669	2.1731		3.6527
H8	3.2100	1.8714	0.9708	2.3418	4.2249	3.6527	3.6527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.699	C1	C2	O4	123.649
C2	C1	F5	110.378	C2	C1	F6	110.401
C2	C1	F7	110.401	C2	O3	H8	106.865
O3	C2	O4	126.652	F5	C1	F6	108.593
F5	C1	F7	108.593	F6	C1	F7	108.413

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

using model chemistry: QCISD(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: QCISD(T)/TZVP

States and conformations

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