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	hartrees
Energy at 0K	-412.580664
Energy at 298.15K	-412.583766
HF Energy	-411.672775
Nuclear repulsion energy	204.724535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3843	3716
2	A'	1447	1399
3	A'	1342	1297
4	A'	1149	1111
5	A'	890	861
6	A'	633	612
7	A'	601	581
8	A'	441	426
9	A"	1229	1188
10	A"	620	600
11	A"	455	440
12	A"	252	243

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.022	0.000
O2	-1.046	0.878	0.000
F3	1.126	0.738	0.000
F4	0.003	-0.785	1.083
F5	0.003	-0.785	-1.083
H6	-1.849	0.335	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3536	1.3310	1.3504	1.3504	1.8782
O2	1.3536		2.1759	2.2444	2.2444	0.9695
F3	1.3310	2.1759		2.1795	2.1795	3.0016
F4	1.3504	2.2444	2.1795		2.1652	2.4199
F5	1.3504	2.2444	2.1795	2.1652		2.4199
H6	1.8782	0.9695	3.0016	2.4199	2.4199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.725	O2	C1	F3	108.283
O2	C1	F4	112.200	O2	C1	F5	112.200
F3	C1	F4	108.741	F3	C1	F5	108.741
F4	C1	F5	106.579

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP4/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)