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	hartrees
Energy at 0K	-214.688560
Energy at 298.15K
HF Energy	-213.998086
Nuclear repulsion energy	79.465725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3889	3889	53.00
2	A	3172	3172	24.64
3	A	3086	3086	47.78
4	A	1568	1568	1.36
5	A	1478	1478	32.26
6	A	1426	1426	18.88
7	A	1297	1297	8.08
8	A	1175	1175	152.11
9	A	1102	1102	141.25
10	A	1062	1062	86.08
11	A	554	554	26.41
12	A	377	377	115.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.510	0.047
F2	1.123	-0.312	-0.025
O3	-1.138	-0.215	-0.119
H4	0.068	1.011	1.015
H5	0.079	1.220	-0.774
H6	-1.277	-0.761	0.657

	C1	F2	O3	H4	H5	H6
C1		1.3780	1.3767	1.0909	1.0865	1.9167
F2	1.3780		2.2654	1.9865	1.9999	2.5360
O3	1.3767	2.2654		2.0597	1.9922	0.9590
H4	1.0909	1.9865	2.0597		1.8012	2.2535
H5	1.0865	1.9999	1.9922	1.8012		2.7950
H6	1.9167	2.5360	0.9590	2.2535	2.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.981	F2	C1	O3	110.652
F2	C1	H4	106.566	F2	C1	H5	107.904
O3	C1	H4	112.653	O3	C1	H5	107.376
H4	C1	H5	111.623

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: CCD/daug-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 CH2FOH (fluoromethanol)

using model chemistry: CCD/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)