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	hartrees
Energy at 0K	-412.655358
Energy at 298.15K	-412.658416
HF Energy	-411.703510
Nuclear repulsion energy	204.329676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3836	3695	88.73
2	A'	1436	1384	174.17
3	A'	1322	1273	488.51
4	A'	1134	1093	180.60
5	A'	889	857	5.78
6	A'	623	601	6.14
7	A'	590	568	17.24
8	A'	433	417	3.95
9	A"	1198	1154	377.07
10	A"	611	589	4.61
11	A"	444	428	15.72
12	A"	243	234	108.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.024	0.000
O2	-1.044	0.883	0.000
F3	1.132	0.733	0.000
F4	0.001	-0.787	1.084
F5	0.001	-0.787	-1.084
H6	-1.861	0.365	0.000

	C1	O2	F3	F4	F5	H6
C1		1.3535	1.3347	1.3535	1.3535	1.8935
O2	1.3535		2.1811	2.2491	2.2491	0.9676
F3	1.3347	2.1811		2.1825	2.1825	3.0155
F4	1.3535	2.2491	2.1825		2.1678	2.4438
F5	1.3535	2.2491	2.1825	2.1678		2.4438
H6	1.8935	0.9676	3.0155	2.4438	2.4438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.183	O2	C1	F3	108.454
O2	C1	F4	112.367	O2	C1	F5	112.367
F3	C1	F4	108.558	F3	C1	F5	108.558
F4	C1	F5	106.413

All results from a given calculation for CF₃OH (trifluoromethanol)

using model chemistry: CCSD/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: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃OH (trifluoromethanol)