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	hartrees
Energy at 0K	-412.763885
Energy at 298.15K	-412.767070
HF Energy	-411.812684
Nuclear repulsion energy	206.201889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3878	3701	87.93
2	A'	1462	1396	195.76
3	A'	1341	1280	532.96
4	A'	1166	1113	196.49
5	A'	923	881	4.11
6	A'	655	625	7.08
7	A'	621	592	18.46
8	A'	455	435	4.35
9	A"	1242	1186	431.11
10	A"	641	612	6.67
11	A"	467	445	17.93
12	A"	261	249	118.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.022	0.000
O2	-1.043	0.870	0.000
F3	1.119	0.730	0.000
F4	0.005	-0.778	1.074
F5	0.005	-0.778	-1.074
H6	-1.851	0.345	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3473	1.3199	1.3393	1.3393	1.8832
O2	1.3473		2.1665	2.2283	2.2283	0.9636
F3	1.3199	2.1665		2.1606	2.1606	2.9947
F4	1.3393	2.2283	2.1606		2.1474	2.4199
F5	1.3393	2.2283	2.1606	2.1474		2.4199
H6	1.8832	0.9636	2.9947	2.4199	2.4199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.006	O2	C1	F3	108.628
O2	C1	F4	112.080	O2	C1	F5	112.080
F3	C1	F4	108.680	F3	C1	F5	108.680
F4	C1	F5	106.588

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)