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	hartrees
Energy at 0K	-412.998832
Energy at 298.15K	-413.001921
HF Energy	-411.814420
Nuclear repulsion energy	206.007073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3849	3652
2	A'	1448	1373
3	A'	1323	1255
4	A'	1146	1087
5	A'	909	862
6	A'	642	609
7	A'	608	577
8	A'	445	422
9	A"	1229	1166
10	A"	629	596
11	A"	455	431
12	A"	223	212

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.020	0.000
O2	-1.042	0.873	0.000
F3	1.119	0.730	0.000
F4	0.005	-0.779	1.075
F5	0.005	-0.779	-1.075
H6	-1.850	0.349	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3501	1.3215	1.3398	1.3398	1.8840
O2	1.3501		2.1662	2.2319	2.2319	0.9632
F3	1.3215	2.1662		2.1627	2.1627	2.9942
F4	1.3398	2.2319	2.1627		2.1496	2.4228
F5	1.3398	2.2319	2.1627	2.1496		2.4228
H6	1.8840	0.9632	2.9942	2.4228	2.4228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.893	O2	C1	F3	108.350
O2	C1	F4	112.146	O2	C1	F5	112.146
F3	C1	F4	108.708	F3	C1	F5	108.708
F4	C1	F5	106.686

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD(T)/cc-pVTZ

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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)