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	hartrees
Energy at 0K	-522.303305
Energy at 298.15K	-522.306346
HF Energy	-521.484573
Nuclear repulsion energy	329.291272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3477	3372
2	A'	1698	1647
3	A'	1397	1355
4	A'	1288	1249
5	A'	1212	1176
6	A'	1063	1031
7	A'	742	719
8	A'	627	608
9	A'	564	547
10	A'	410	398
11	A'	371	359
12	A'	219	212
13	A"	1257	1219
14	A"	741	719
15	A"	607	589
16	A"	481	466
17	A"	228	221
18	A"	34	33

Atom	x (Å)	y (Å)	z (Å)
C1	0.092	0.588	0.000
C2	-0.318	-0.895	0.000
O3	0.843	-1.648	0.000
O4	-1.475	-1.332	0.000
F5	-1.040	1.365	0.000
F6	0.843	0.890	1.115
F7	0.843	0.890	-1.115
H8	0.602	-2.617	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5392	2.3591	2.4786	1.3731	1.3770	1.3770	3.2457
C2	1.5392		1.3836	1.2364	2.3722	2.4030	2.4030	1.9524
O3	2.3591	1.3836		2.3387	3.5527	2.7718	2.7718	0.9983
O4	2.4786	1.2364	2.3387		2.7313	3.3982	3.3982	2.4421
F5	1.3731	2.3722	3.5527	2.7313		2.2391	2.2391	4.3070
F6	1.3770	2.4030	2.7718	3.3982	2.2391		2.2293	3.6874
F7	1.3770	2.4030	2.7718	3.3982	2.2391	2.2293		3.6874
H8	3.2457	1.9524	0.9983	2.4421	4.3070	3.6874	3.6874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.516	C1	C2	O4	126.162
C2	C1	F5	108.954	C2	C1	F6	110.861
C2	C1	F7	110.861	C2	O3	H8	109.032
O3	C2	O4	126.323	F5	C1	F6	109.016
F5	C1	F7	109.016	F6	C1	F7	108.094

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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