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	hartrees
Energy at 0K	-412.995369
Energy at 298.15K	-412.998485
HF Energy	-411.821058
Nuclear repulsion energy	206.420544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3862	3717	94.47
2	A'	1451	1396	195.26
3	A'	1334	1284	496.48
4	A'	1152	1109	169.65
5	A'	919	885	3.84
6	A'	644	620	5.85
7	A'	610	587	16.54
8	A'	447	430	4.03
9	A"	1231	1185	382.20
10	A"	631	607	4.28
11	A"	456	439	12.38
12	A"	235	226	110.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.021	0.000
O2	-1.038	0.873	0.000
F3	1.119	0.726	0.000
F4	0.004	-0.778	1.072
F5	0.004	-0.778	-1.072
H6	-1.853	0.362	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3461	1.3193	1.3371	1.3371	1.8882
O2	1.3461		2.1624	2.2273	2.2273	0.9622
F3	1.3193	2.1624		2.1574	2.1574	2.9947
F4	1.3371	2.2273	2.1574		2.1448	2.4285
F5	1.3371	2.2273	2.1574	2.1448		2.4285
H6	1.8882	0.9622	2.9947	2.4285	2.4285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.634	O2	C1	F3	108.440
O2	C1	F4	112.213	O2	C1	F5	112.213
F3	C1	F4	108.609	F3	C1	F5	108.609
F4	C1	F5	106.646

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)