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	hartrees
Energy at 0K	-410.001583
Energy at 298.15K	-410.004496
HF Energy	-409.412617
Nuclear repulsion energy	200.567660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3556	3481
2	A'	1484	1452
3	A'	1292	1264
4	A'	1139	1115
5	A'	853	834
6	A'	601	588
7	A'	570	558
8	A'	422	413
9	A"	1280	1253
10	A"	598	585
11	A"	435	426
12	A"	190	186

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.021	0.000
O2	-1.063	0.892	0.000
F3	1.147	0.756	0.000
F4	0.004	-0.803	1.105
F5	0.004	-0.803	-1.105
H6	-1.922	0.397	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3778	1.3580	1.3784	1.3784	1.9629
O2	1.3778		2.2138	2.2880	2.2880	0.9915
F3	1.3580	2.2138		2.2261	2.2261	3.0895
F4	1.3784	2.2880	2.2261		2.2093	2.5245
F5	1.3784	2.2880	2.2261	2.2093		2.5245
H6	1.9629	0.9915	3.0895	2.5245	2.5245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.831	O2	C1	F3	108.033
O2	C1	F4	112.220	O2	C1	F5	112.220
F3	C1	F4	108.880	F3	C1	F5	108.880
F4	C1	F5	106.527

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP4=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)