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	hartrees
Energy at 0K	-412.658015
Energy at 298.15K	-412.661042
HF Energy	-411.702688
Nuclear repulsion energy	203.917516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3812	3695	101.89
2	A'	1409	1366	166.48
3	A'	1297	1257	513.36
4	A'	1105	1071	188.98
5	A'	878	851	7.99
6	A'	618	599	4.82
7	A'	585	567	16.73
8	A'	429	416	3.95
9	A"	1157	1122	382.95
10	A"	605	587	2.74
11	A"	440	427	17.15
12	A"	241	234	108.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.025	0.000
O2	-1.042	0.886	0.000
F3	1.134	0.734	0.000
F4	-0.000	-0.790	1.087
F5	-0.000	-0.790	-1.087
H6	-1.860	0.367	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3517	1.3375	1.3586	1.3586	1.8909
O2	1.3517		2.1808	2.2532	2.2532	0.9694
F3	1.3375	2.1808		2.1887	2.1887	3.0162
F4	1.3586	2.2532	2.1887		2.1742	2.4450
F5	1.3586	2.2532	2.1887	2.1742		2.4450
H6	1.8909	0.9694	3.0162	2.4450	2.4450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.975	O2	C1	F3	108.381
O2	C1	F4	112.475	O2	C1	F5	112.475
F3	C1	F4	108.546	F3	C1	F5	108.546
F4	C1	F5	106.290

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)