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	hartrees
Energy at 0K	-412.590909
Energy at 298.15K	-412.594015
HF Energy	-411.672963
Nuclear repulsion energy	204.825603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3846	3712
2	A'	1448	1398
3	A'	1343	1297
4	A'	1150	1110
5	A'	891	860
6	A'	634	612
7	A'	602	581
8	A'	441	426
9	A"	1230	1187
10	A"	621	599
11	A"	456	440
12	A"	252	243

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.022	0.000
O2	-1.045	0.877	0.000
F3	1.125	0.737	0.000
F4	0.003	-0.785	1.082
F5	0.003	-0.785	-1.082
H6	-1.848	0.335	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3528	1.3304	1.3498	1.3498	1.8776
O2	1.3528		2.1748	2.2432	2.2432	0.9690
F3	1.3304	2.1748		2.1785	2.1785	3.0004
F4	1.3498	2.2432	2.1785		2.1642	2.4191
F5	1.3498	2.2432	2.1785	2.1642		2.4191
H6	1.8776	0.9690	3.0004	2.4191	2.4191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.765	O2	C1	F3	108.289
O2	C1	F4	112.198	O2	C1	F5	112.198
F3	C1	F4	108.739	F3	C1	F5	108.739
F4	C1	F5	106.581

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP4=FULL/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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)