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	hartrees
Energy at 0K	-525.582235
Energy at 298.15K	-525.585507
HF Energy	-524.404329
Nuclear repulsion energy	335.980108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3764	3586	100.97
2	A'	1872	1783	215.94
3	A'	1470	1401	51.98
4	A'	1303	1241	143.93
5	A'	1247	1188	227.53
6	A'	1165	1109	324.01
7	A'	804	766	3.65
8	A'	672	640	72.32
9	A'	597	568	9.37
10	A'	429	409	0.18
11	A'	397	378	2.05
12	A'	238	227	1.11
13	A"	1236	1178	313.21
14	A"	796	758	34.35
15	A"	616	587	102.00
16	A"	512	488	1.28
17	A"	244	233	0.08
18	A"	29	28	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	0.590	0.000
C2	-0.296	-0.900	0.000
O3	0.818	-1.650	0.000
O4	-1.435	-1.303	0.000
F5	-1.006	1.350	0.000
F6	0.818	0.884	1.088
F7	0.818	0.884	-1.088
H8	0.511	-2.576	0.000

	C1	C2	O3	O4	F5	F6	F7	H8
C1		1.5392	2.3565	2.4306	1.3322	1.3424	1.3424	3.1943
C2	1.5392		1.3434	1.2085	2.3591	2.3680	2.3680	1.8603
O3	2.3565	1.3434		2.2802	3.5112	2.7579	2.7579	0.9749
O4	2.4306	1.2085	2.2802		2.6876	3.3234	3.3234	2.3260
F5	1.3322	2.3591	3.5112	2.6876		2.1743	2.1743	4.2087
F6	1.3424	2.3680	2.7579	3.3234	2.1743		2.1760	3.6396
F7	1.3424	2.3680	2.7579	3.3234	2.1743	2.1760		3.6396
H8	3.1943	1.8603	0.9749	2.3260	4.2087	3.6396	3.6396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.480	C1	C2	O4	123.964
C2	C1	F5	110.284	C2	C1	F6	110.335
C2	C1	F7	110.335	C2	O3	H8	105.623
O3	C2	O4	126.556	F5	C1	F6	108.771
F5	C1	F7	108.771	F6	C1	F7	108.291

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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