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	hartrees
Energy at 0K	-214.760960
Energy at 298.15K
HF Energy	-214.604673
Nuclear repulsion energy	78.982047

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	3767	3575	30.50	73.98	0.30	0.47
2	A	3182	3020	49.43	67.32	0.47	0.64
3	A	3078	2922	74.89	91.16	0.16	0.27
4	A	1585	1505	3.38	9.90	0.72	0.84
5	A	1498	1422	59.02	7.64	0.75	0.86
6	A	1429	1356	18.99	6.87	0.75	0.86
7	A	1288	1223	6.49	9.38	0.72	0.84
8	A	1161	1102	138.68	4.01	0.29	0.44
9	A	1101	1045	125.98	2.48	0.40	0.57
10	A	1048	994	99.89	3.31	0.47	0.64
11	A	547	519	46.82	1.99	0.64	0.78
12	A	393	373	121.14	5.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.510	0.049
F2	1.134	-0.310	-0.029
O3	-1.149	-0.213	-0.115
H4	0.068	1.016	1.020
H5	0.058	1.228	-0.769
H6	-1.241	-0.815	0.639

	C1	F2	O3	H4	H5	H6
C1		1.3874	1.3823	1.0961	1.0898	1.9203
F2	1.3874		2.2868	1.9989	2.0180	2.5187
O3	1.3823	2.2868		2.0692	1.9902	0.9698
H4	1.0961	1.9989	2.0692		1.8023	2.2827
H5	1.0898	2.0180	1.9902	1.8023		2.8010
H6	1.9203	2.5187	0.9698	2.2827	2.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.175	F2	C1	O3	111.303
F2	C1	H4	106.606	F2	C1	H5	108.498
O3	C1	H4	112.702	O3	C1	H5	106.635
H4	C1	H5	111.077

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP/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	0.233
2	F	-0.327
3	O	-0.605
4	H	0.128
5	H	0.155
6	H	0.414

	x	y	z	Total
	-0.577	0.595	1.488	1.703
CHELPG
AIM
ESP

	x	y	z
x	2.371	0.221	-0.037
y	0.221	2.347	-0.190
z	-0.037	-0.190	2.274

<r²>	42.462
(<r²>)^1/2	6.516

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)