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	hartrees
Energy at 0K	-412.518033
Energy at 298.15K	-412.521087
HF Energy	-411.663696
Nuclear repulsion energy	204.210798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3867	3632	110.86
2	A'	1425	1338	191.71
3	A'	1314	1234	546.92
4	A'	1120	1052	195.76
5	A'	894	839	8.08
6	A'	625	587	5.75
7	A'	592	556	19.36
8	A'	435	409	4.27
9	A"	1185	1113	424.09
10	A"	614	577	4.63
11	A"	449	422	21.66
12	A"	249	234	123.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.026	0.000
O2	-1.041	0.881	0.000
F3	1.131	0.736	0.000
F4	0.001	-0.789	1.086
F5	0.001	-0.789	-1.086
H6	-1.863	0.369	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3480	1.3353	1.3573	1.3573	1.8947
O2	1.3480		2.1776	2.2477	2.2477	0.9679
F3	1.3353	2.1776		2.1867	2.1867	3.0166
F4	1.3573	2.2477	2.1867		2.1716	2.4477
F5	1.3573	2.2477	2.1867	2.1716		2.4477
H6	1.8947	0.9679	3.0166	2.4477	2.4477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.691	O2	C1	F3	108.497
O2	C1	F4	112.375	O2	C1	F5	112.375
F3	C1	F4	108.608	F3	C1	F5	108.608
F4	C1	F5	106.255

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)