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	hartrees
Energy at 0K	-214.840845
Energy at 298.15K
HF Energy	-214.840845
Nuclear repulsion energy	78.455776

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	3651	3580	16.20	83.32	0.30	0.47
2	A	3063	3003	60.88	78.53	0.43	0.61
3	A	2955	2897	94.28	99.72	0.18	0.30
4	A	1526	1496	3.22	10.55	0.71	0.83
5	A	1451	1422	56.25	8.77	0.75	0.86
6	A	1393	1366	14.51	6.93	0.75	0.86
7	A	1246	1222	5.55	10.47	0.72	0.84
8	A	1111	1089	102.44	4.26	0.27	0.42
9	A	1059	1038	131.45	1.64	0.50	0.67
10	A	995	975	128.93	3.34	0.48	0.65
11	A	531	520	43.57	2.22	0.64	0.78
12	A	397	389	108.65	5.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.509	0.049
F2	1.146	-0.309	-0.029
O3	-1.158	-0.216	-0.117
H4	0.066	1.022	1.027
H5	0.051	1.233	-0.776
H6	-1.255	-0.804	0.653

	C1	F2	O3	H4	H5	H6
C1		1.3973	1.3889	1.1051	1.0982	1.9247
F2	1.3973		2.3069	2.0127	2.0329	2.5448
O3	1.3889	2.3069		2.0826	1.9980	0.9746
H4	1.1051	2.0127	2.0826		1.8155	2.2847
H5	1.0982	2.0329	1.9980	1.8155		2.8105
H6	1.9247	2.5448	0.9746	2.2847	2.8105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.759	F2	C1	O3	111.784
F2	C1	H4	106.501	F2	C1	H5	108.503
O3	C1	H4	112.750	O3	C1	H5	106.320
H4	C1	H5	110.969

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/6-31G*

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	0.190
2	F	-0.299
3	O	-0.562
4	H	0.123
5	H	0.150
6	H	0.397

	x	y	z	Total
	-0.618	0.522	1.439	1.651
CHELPG
AIM
ESP

	x	y	z
x	2.512	0.244	-0.040
y	0.244	2.443	-0.192
z	-0.040	-0.192	2.371

<r²>	42.840
(<r²>)^1/2	6.545

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)