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	hartrees
Energy at 0K	-214.792004
Energy at 298.15K
HF Energy	-214.792004
Nuclear repulsion energy	78.444858

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	3613	11.70	85.88	0.32	0.48
2	A	3048	3017	48.61	79.74	0.45	0.62
3	A	2939	2908	85.74	107.28	0.17	0.29
4	A	1487	1471	3.16	8.29	0.73	0.85
5	A	1423	1408	46.10	8.27	0.75	0.86
6	A	1376	1362	9.92	6.04	0.75	0.86
7	A	1230	1217	6.41	8.75	0.72	0.83
8	A	1114	1102	129.07	2.96	0.26	0.42
9	A	1049	1039	91.69	1.90	0.51	0.68
10	A	962	952	163.90	3.06	0.55	0.71
11	A	540	534	59.00	2.25	0.62	0.77
12	A	420	416	109.74	5.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	0.511	0.049
F2	1.147	-0.308	-0.028
O3	-1.154	-0.218	-0.118
H4	0.068	1.019	1.030
H5	0.052	1.229	-0.782
H6	-1.267	-0.799	0.655

	C1	F2	O3	H4	H5	H6
C1		1.4041	1.3826	1.1064	1.0994	1.9267
F2	1.4041		2.3043	2.0115	2.0322	2.5563
O3	1.3826	2.3043		2.0836	1.9970	0.9740
H4	1.1064	2.0115	2.0836		1.8248	2.2868
H5	1.0994	2.0322	1.9970	1.8248		2.8140
H6	1.9267	2.5563	0.9740	2.2868	2.8140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.440	F2	C1	O3	111.560
F2	C1	H4	105.885	F2	C1	H5	107.917
O3	C1	H4	113.207	O3	C1	H5	106.585
H4	C1	H5	111.639

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBE/6-311G*

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	-0.019
2	F	-0.251
3	O	-0.490
4	H	0.178
5	H	0.201
6	H	0.380

	x	y	z	Total
	-0.751	0.571	1.532	1.800
CHELPG
AIM
ESP

	x	y	z
x	2.653	0.240	-0.052
y	0.240	2.527	-0.173
z	-0.052	-0.173	2.400

<r²>	43.069
(<r²>)^1/2	6.563

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)