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	hartrees
Energy at 0K	-412.701364
Energy at 298.15K	-412.704352
HF Energy	-411.701421
Nuclear repulsion energy	203.255160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3790	3696
2	A'	1404	1369
3	A'	1284	1252
4	A'	1098	1071
5	A'	859	837
6	A'	607	592
7	A'	575	561
8	A'	422	412
9	A"	1144	1116
10	A"	595	580
11	A"	434	423
12	A"	241	235

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.025	0.000
O2	-1.046	0.889	0.000
F3	1.137	0.737	0.000
F4	0.000	-0.792	1.091
F5	0.000	-0.792	-1.091
H6	-1.863	0.365	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3569	1.3415	1.3630	1.3630	1.8940
O2	1.3569		2.1886	2.2608	2.2608	0.9704
F3	1.3415	2.1886		2.1959	2.1959	3.0231
F4	1.3630	2.2608	2.1959		2.1814	2.4496
F5	1.3630	2.2608	2.1959	2.1814		2.4496
H6	1.8940	0.9704	3.0231	2.4496	2.4496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.782	O2	C1	F3	108.393
O2	C1	F4	112.441	O2	C1	F5	112.441
F3	C1	F4	108.569	F3	C1	F5	108.569
F4	C1	F5	106.302

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP4=FULL/aug-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 CF3OH (trifluoromethanol)

using model chemistry: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)