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	hartrees
Energy at 0K	-412.507077
Energy at 298.15K	-412.510139
HF Energy	-411.643321
Nuclear repulsion energy	204.381419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3750	3606
2	A'	1469	1413
3	A'	1345	1293
4	A'	1156	1111
5	A'	897	863
6	A'	627	603
7	A'	594	571
8	A'	436	420
9	A"	1248	1200
10	A"	617	593
11	A"	453	435
12	A"	251	241

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.023	0.000
O2	-1.046	0.876	0.000
F3	1.127	0.741	0.000
F4	0.004	-0.787	1.084
F5	0.004	-0.787	-1.084
H6	-1.866	0.348	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3534	1.3331	1.3530	1.3530	1.8981
O2	1.3534		2.1774	2.2460	2.2460	0.9751
F3	1.3331	2.1774		2.1842	2.1842	3.0186
F4	1.3530	2.2460	2.1842		2.1681	2.4415
F5	1.3530	2.2460	2.1842	2.1681		2.4415
H6	1.8981	0.9751	3.0186	2.4415	2.4415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.105	O2	C1	F3	108.289
O2	C1	F4	112.175	O2	C1	F5	112.175
F3	C1	F4	108.808	F3	C1	F5	108.808
F4	C1	F5	106.496

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP4=FULL/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: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)