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	hartrees
Energy at 0K	-214.672267
Energy at 298.15K
HF Energy	-213.990762
Nuclear repulsion energy	79.475473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3901	3721	50.21
2	A	3167	3020	26.26
3	A	3080	2937	49.94
4	A	1564	1491	1.44
5	A	1475	1407	29.90
6	A	1422	1356	18.09
7	A	1297	1237	8.24
8	A	1171	1117	144.56
9	A	1096	1045	122.96
10	A	1048	1000	114.73
11	A	552	526	27.40
12	A	377	360	117.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.510	0.047
F2	1.124	-0.312	-0.025
O3	-1.138	-0.215	-0.119
H4	0.068	1.009	1.016
H5	0.078	1.220	-0.774
H6	-1.279	-0.761	0.656

	C1	F2	O3	H4	H5	H6
C1		1.3787	1.3750	1.0917	1.0871	1.9160
F2	1.3787		2.2657	1.9862	2.0003	2.5377
O3	1.3750	2.2657		2.0591	1.9912	0.9582
H4	1.0917	1.9862	2.0591		1.8030	2.2535
H5	1.0871	2.0003	1.9912	1.8030		2.7945
H6	1.9160	2.5377	0.9582	2.2535	2.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.099	F2	C1	O3	110.729
F2	C1	H4	106.452	F2	C1	H5	107.850
O3	C1	H4	112.678	O3	C1	H5	107.368
H4	C1	H5	111.694

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: QCISD/6-311+G(3df,2p)

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: QCISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)