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	hartrees
Energy at 0K	-214.894486
Energy at 298.15K
HF Energy	-214.894486
Nuclear repulsion energy	79.301758

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	3839	3641	35.40	71.63	0.30	0.47
2	A	3157	2995	52.90	70.25	0.46	0.63
3	A	3051	2894	80.09	95.30	0.16	0.28
4	A	1573	1492	3.16	10.11	0.72	0.84
5	A	1496	1419	58.84	7.46	0.75	0.86
6	A	1428	1355	21.75	6.69	0.75	0.86
7	A	1290	1224	5.85	9.54	0.72	0.84
8	A	1185	1124	157.05	3.45	0.31	0.47
9	A	1106	1049	128.69	2.65	0.38	0.55
10	A	1059	1005	92.09	2.75	0.53	0.69
11	A	553	524	44.71	1.85	0.65	0.79
12	A	399	378	126.37	4.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.506	0.049
F2	1.129	-0.309	-0.028
O3	-1.143	-0.212	-0.116
H4	0.067	1.014	1.021
H5	0.061	1.228	-0.769
H6	-1.250	-0.802	0.640

	C1	F2	O3	H4	H5	H6
C1		1.3794	1.3755	1.0985	1.0919	1.9157
F2	1.3794		2.2762	1.9949	2.0130	2.5200
O3	1.3755	2.2762		2.0640	1.9874	0.9654
H4	1.0985	1.9949	2.0640		1.8035	2.2751
H5	1.0919	2.0130	1.9874	1.8035		2.7976
H6	1.9157	2.5200	0.9654	2.2751	2.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.576	F2	C1	O3	111.429
F2	C1	H4	106.684	F2	C1	H5	108.524
O3	C1	H4	112.599	O3	C1	H5	106.747
H4	C1	H5	110.836

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: wB97X-D/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	0.196
2	F	-0.318
3	O	-0.603
4	H	0.139
5	H	0.166
6	H	0.420

	x	y	z	Total
	-0.594	0.590	1.507	1.724
CHELPG
AIM
ESP

	x	y	z
x	2.342	0.217	-0.036
y	0.217	2.334	-0.175
z	-0.036	-0.175	2.291

<r²>	42.113
(<r²>)^1/2	6.489

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)