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	hartrees
Energy at 0K	-213.823374
Energy at 298.15K
HF Energy	-213.823374
Nuclear repulsion energy	78.615713

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	4024	3633	62.24	77.61	0.32	0.48
2	A	3402	3072	33.87	64.06	0.48	0.64
3	A	3283	2964	56.51	98.94	0.14	0.25
4	A	1699	1534	2.56	10.83	0.74	0.85
5	A	1587	1433	41.29	6.18	0.75	0.86
6	A	1482	1338	23.73	9.40	0.73	0.84
7	A	1355	1223	14.84	8.33	0.74	0.85
8	A	1211	1094	185.57	7.02	0.33	0.49
9	A	1148	1037	127.20	3.37	0.63	0.77
10	A	1075	971	134.56	6.01	0.32	0.48
11	A	554	500	90.89	2.46	0.66	0.80
12	A	393	355	195.30	5.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.526	0.048
F2	1.143	-0.316	-0.027
O3	-1.151	-0.209	-0.105
H4	0.073	1.018	1.004
H5	0.064	1.217	-0.768
H6	-1.293	-0.874	0.561

	C1	F2	O3	H4	H5	H6
C1		1.4115	1.3855	1.0772	1.0705	1.9821
F2	1.4115		2.2983	1.9966	2.0166	2.5676
O3	1.3855	2.2983		2.0582	1.9875	0.9516
H4	1.0772	1.9966	2.0582		1.7839	2.3748
H5	1.0705	2.0166	1.9875	1.7839		2.8248
H6	1.9821	2.5676	0.9516	2.3748	2.8248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	114.738	F2	C1	O3	110.505
F2	C1	H4	105.913	F2	C1	H5	107.886
O3	C1	H4	112.790	O3	C1	H5	107.349
H4	C1	H5	112.320

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/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	0.419
2	F	-0.462
3	O	-0.733
4	H	0.161
5	H	0.191
6	H	0.424

	x	y	z	Total
	-0.785	1.087	1.817	2.258
CHELPG
AIM
ESP

	x	y	z
x	2.076	0.183	-0.033
y	0.183	2.008	-0.199
z	-0.033	-0.199	1.863

<r²>	43.140
(<r²>)^1/2	6.568

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)