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	hartrees
Energy at 0K	-525.629230
Energy at 298.15K	-525.632484
HF Energy	-524.404035
Nuclear repulsion energy	335.552129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3757	3580
2	A'	1877	1789
3	A'	1460	1392
4	A'	1307	1246
5	A'	1251	1192
6	A'	1157	1103
7	A'	798	761
8	A'	667	636
9	A'	592	564
10	A'	426	406
11	A'	394	375
12	A'	236	225
13	A"	1241	1183
14	A"	787	750
15	A"	605	577
16	A"	509	485
17	A"	242	231
18	A"	35	33

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	0.593	0.000
C2	-0.297	-0.902	0.000
O3	0.819	-1.657	0.000
O4	-1.435	-1.303	0.000
F5	-1.007	1.352	0.000
F6	0.819	0.886	1.089
F7	0.819	0.886	-1.089
H8	0.509	-2.582	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5436	2.3655	2.4325	1.3332	1.3432	1.3432	3.2023
C2	1.5436		1.3470	1.2073	2.3635	2.3717	2.3717	1.8633
O3	2.3655	1.3470		2.2817	3.5200	2.7663	2.7663	0.9748
O4	2.4325	1.2073	2.2817		2.6896	3.3251	3.3251	2.3277
F5	1.3332	2.3635	3.5200	2.6896		2.1763	2.1763	4.2162
F6	1.3432	2.3717	2.7663	3.3251	2.1763		2.1779	3.6476
F7	1.3432	2.3717	2.7663	3.3251	2.1763	2.1779		3.6476
H8	3.2023	1.8633	0.9748	2.3277	4.2162	3.6476	3.6476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.651	C1	C2	O4	123.860
C2	C1	F5	110.269	C2	C1	F6	110.294
C2	C1	F7	110.294	C2	O3	H8	105.620
O3	C2	O4	126.489	F5	C1	F6	108.803
F5	C1	F7	108.803	F6	C1	F7	108.329

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

using model chemistry: QCISD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

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