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	hartrees
Energy at 0K	-214.726021
Energy at 298.15K
HF Energy	-214.726021
Nuclear repulsion energy	78.419185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3622	3571	15.50	85.48	0.30	0.47
2	A	3041	2998	52.85	77.78	0.43	0.60
3	A	2937	2895	85.53	97.49	0.18	0.30
4	A	1506	1484	2.31	10.84	0.72	0.83
5	A	1430	1410	54.69	9.35	0.75	0.86
6	A	1379	1360	12.77	6.97	0.75	0.85
7	A	1231	1213	4.17	10.97	0.71	0.83
8	A	1118	1102	120.17	3.60	0.27	0.43
9	A	1052	1037	125.61	2.47	0.37	0.54
10	A	1002	988	100.77	3.12	0.54	0.70
11	A	530	522	44.57	2.22	0.64	0.78
12	A	395	390	105.97	5.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.016	0.508	0.049
F2	1.145	-0.309	-0.029
O3	-1.157	-0.216	-0.118
H4	0.066	1.026	1.030
H5	0.049	1.236	-0.778
H6	-1.254	-0.804	0.659

	C1	F2	O3	H4	H5	H6
C1		1.3961	1.3885	1.1099	1.1031	1.9250
F2	1.3961		2.3061	2.0165	2.0373	2.5449
O3	1.3885	2.3061		2.0873	1.9999	0.9797
H4	1.1099	2.0165	2.0873		1.8205	2.2868
H5	1.1031	2.0373	1.9999	1.8205		2.8156
H6	1.9250	2.5449	0.9797	2.2868	2.8156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.502	F2	C1	O3	111.823
F2	C1	H4	106.602	F2	C1	H5	108.640
O3	C1	H4	112.859	O3	C1	H5	106.205
H4	C1	H5	110.696

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBE/6-31G*

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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Number	Element	Mulliken
1	C	0.139
2	F	-0.277
3	O	-0.543
4	H	0.129
5	H	0.156
6	H	0.395

	x	y	z	Total
	-0.600	0.464	1.428	1.617
CHELPG
AIM
ESP

	x	y	z
x	2.536	0.252	-0.045
y	0.252	2.476	-0.201
z	-0.045	-0.201	2.401

<r²>	42.898
(<r²>)^1/2	6.550

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)