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	hartrees
Energy at 0K	-525.974108
Energy at 298.15K	-525.977351
HF Energy	-524.513363
Nuclear repulsion energy	336.138099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3802	3656
2	A'	1831	1760
3	A'	1442	1387
4	A'	1290	1240
5	A'	1238	1190
6	A'	1144	1100
7	A'	796	766
8	A'	666	641
9	A'	592	569
10	A'	427	411
11	A'	393	378
12	A'	240	230
13	A"	1218	1171
14	A"	784	754
15	A"	593	570
16	A"	507	487
17	A"	246	237
18	A"	32	31

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	0.592	0.000
C2	-0.298	-0.901	0.000
O3	0.817	-1.651	0.000
O4	-1.435	-1.303	0.000
F5	-1.004	1.351	0.000
F6	0.817	0.883	1.088
F7	0.817	0.883	-1.088
H8	0.519	-2.572	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5422	2.3588	2.4320	1.3304	1.3408	1.3408	3.1937
C2	1.5422		1.3442	1.2059	2.3598	2.3683	2.3683	1.8608
O3	2.3588	1.3442		2.2785	3.5114	2.7582	2.7582	0.9679
O4	2.4320	1.2059	2.2785		2.6891	3.3218	3.3218	2.3301
F5	1.3304	2.3598	3.5114	2.6891		2.1718	2.1718	4.2087
F6	1.3408	2.3683	2.7582	3.3218	2.1718		2.1754	3.6350
F7	1.3408	2.3683	2.7582	3.3218	2.1718	2.1754		3.6350
H8	3.1937	1.8608	0.9679	2.3301	4.2087	3.6350	3.6350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.419	C1	C2	O4	124.037
C2	C1	F5	110.245	C2	C1	F6	110.267
C2	C1	F7	110.267	C2	O3	H8	106.044
O3	C2	O4	126.544	F5	C1	F6	108.789
F5	C1	F7	108.789	F6	C1	F7	108.435

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

using model chemistry: MP4=FULL/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: MP4=FULL/6-311G**

States and conformations

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