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	hartrees
Energy at 0K	-412.483477
Energy at 298.15K	-412.486559
HF Energy	-411.651338
Nuclear repulsion energy	204.957098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3911	3682	78.65
2	A'	1481	1394	202.46
3	A'	1368	1288	498.99
4	A'	1171	1103	166.87
5	A'	915	861	3.59
6	A'	637	599	6.81
7	A'	603	568	19.60
8	A'	442	416	4.07
9	A"	1278	1203	390.61
10	A"	627	590	8.78
11	A"	455	428	20.00
12	A"	232	218	119.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.022	0.000
O2	-1.045	0.873	0.000
F3	1.125	0.738	0.000
F4	0.004	-0.784	1.081
F5	0.004	-0.784	-1.081
H6	-1.858	0.354	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3511	1.3304	1.3485	1.3485	1.8911
O2	1.3511		2.1743	2.2397	2.2397	0.9644
F3	1.3304	2.1743		2.1779	2.1779	3.0074
F4	1.3485	2.2397	2.1779		2.1622	2.4352
F5	1.3485	2.2397	2.1779	2.1622		2.4352
H6	1.8911	0.9644	3.0074	2.4352	2.4352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.358	O2	C1	F3	108.356
O2	C1	F4	112.128	O2	C1	F5	112.128
F3	C1	F4	108.774	F3	C1	F5	108.774
F4	C1	F5	106.589

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)