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	hartrees
Energy at 0K	-525.038539
Energy at 298.15K	-525.041388
HF Energy	-524.262412
Nuclear repulsion energy	323.566830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3622	3496	100.80
2	A'	1652	1595	195.76
3	A'	1367	1320	28.65
4	A'	1181	1140	73.90
5	A'	1085	1047	239.49
6	A'	1030	995	334.30
7	A'	709	684	11.82
8	A'	599	578	65.07
9	A'	531	513	13.78
10	A'	382	369	1.04
11	A'	366	353	3.27
12	A'	227	219	1.13
13	A"	1056	1019	284.92
14	A"	718	693	44.95
15	A"	577	557	175.93
16	A"	445	430	0.01
17	A"	234	226	0.11
18	A"	37	36	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.085	0.580	0.000
C2	-0.313	-0.927	0.000
O3	0.849	-1.683	0.000
O4	-1.486	-1.353	0.000
F5	-1.056	1.402	0.000
F6	0.849	0.912	1.141
F7	0.849	0.912	-1.141
H8	0.673	-2.656	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5592	2.3890	2.4910	1.4059	1.4132	1.4132	3.2899
C2	1.5592		1.3867	1.2475	2.4444	2.4568	2.4568	1.9909
O3	2.3890	1.3867		2.3583	3.6257	2.8346	2.8346	0.9893
O4	2.4910	1.2475	2.3583		2.7880	3.4474	3.4474	2.5220
F5	1.4059	2.4444	3.6257	2.7880		2.2747	2.2747	4.4113
F6	1.4132	2.4568	2.8346	3.4474	2.2747		2.2829	3.7503
F7	1.4132	2.4568	2.8346	3.4474	2.2747	2.2829		3.7503
H8	3.2899	1.9909	0.9893	2.5220	4.4113	3.7503	3.7503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.235	C1	C2	O4	124.757
C2	C1	F5	110.948	C2	C1	F6	111.392
C2	C1	F7	111.392	C2	O3	H8	112.774
O3	C2	O4	127.008	F5	C1	F6	107.590
F5	C1	F7	107.590	F6	C1	F7	107.745

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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