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	hartrees
Energy at 0K	-412.708255
Energy at 298.15K	-412.711401
HF Energy	-411.764589
Nuclear repulsion energy	205.927503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3904	3710	98.86
2	A'	1449	1377	188.63
3	A'	1340	1273	555.28
4	A'	1152	1095	201.83
5	A'	913	867	6.16
6	A'	645	612	6.21
7	A'	612	582	17.82
8	A'	449	427	4.20
9	A"	1227	1166	430.84
10	A"	631	600	5.78
11	A"	463	440	19.69
12	A"	254	241	112.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.022	0.000
O2	-1.040	0.871	0.000
F3	1.119	0.733	0.000
F4	0.004	-0.780	1.077
F5	0.004	-0.780	-1.077
H6	-1.840	0.338	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3454	1.3228	1.3429	1.3429	1.8710
O2	1.3454		2.1636	2.2308	2.2308	0.9619
F3	1.3228	2.1636		2.1667	2.1667	2.9860
F4	1.3429	2.2308	2.1667		2.1531	2.4105
F5	1.3429	2.2308	2.1667	2.1531		2.4105
H6	1.8710	0.9619	2.9860	2.4105	2.4105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.198	O2	C1	F3	108.363
O2	C1	F4	112.158	O2	C1	F5	112.158
F3	C1	F4	108.742	F3	C1	F5	108.742
F4	C1	F5	106.581

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2/6-311G**

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 CF3OH (trifluoromethanol)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)