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	hartrees
Energy at 0K	-525.546068
Energy at 298.15K	-525.549580
HF Energy	-524.513228
Nuclear repulsion energy	341.172158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4007	3723	104.36
2	A'	2030	1886	338.73
3	A'	1552	1442	71.82
4	A'	1393	1294	160.43
5	A'	1333	1239	261.92
6	A'	1253	1164	374.45
7	A'	863	802	4.61
8	A'	717	666	95.27
9	A'	633	588	11.70
10	A'	458	426	0.12
11	A'	418	389	2.71
12	A'	255	237	1.21
13	A"	1330	1235	333.60
14	A"	861	800	53.97
15	A"	634	589	141.76
16	A"	543	505	4.04
17	A"	264	245	0.09
18	A"	40	37	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.086	0.589	0.000
C2	-0.289	-0.895	0.000
O3	0.801	-1.636	0.000
O4	-1.402	-1.287	0.000
F5	-0.992	1.332	0.000
F6	0.801	0.877	1.070
F7	0.801	0.877	-1.070
H8	0.554	-2.556	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5308	2.3370	2.3947	1.3094	1.3190	1.3190	3.1800
C2	1.5308		1.3179	1.1799	2.3355	2.3395	2.3395	1.8630
O3	2.3370	1.3179		2.2301	3.4676	2.7312	2.7312	0.9528
O4	2.3947	1.1799	2.2301		2.6513	3.2682	3.2682	2.3317
F5	1.3094	2.3355	3.4676	2.6513		2.1373	2.1373	4.1846
F6	1.3190	2.3395	2.7312	3.2682	2.1373		2.1409	3.6045
F7	1.3190	2.3395	2.7312	3.2682	2.1373	2.1409		3.6045
H8	3.1800	1.8630	0.9528	2.3317	4.1846	3.6045	3.6045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.022	C1	C2	O4	123.603
C2	C1	F5	110.391	C2	C1	F6	110.137
C2	C1	F7	110.137	C2	O3	H8	109.209
O3	C2	O4	126.374	F5	C1	F6	108.814
F5	C1	F7	108.814	F6	C1	F7	108.503

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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