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	hartrees
Energy at 0K	-215.057983
Energy at 298.15K
HF Energy	-215.057983
Nuclear repulsion energy	79.037169

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	3828	3701	48.05	71.69	0.21	0.35
2	A	3115	3012	27.22	63.97	0.48	0.65
3	A	3028	2928	54.67	108.11	0.11	0.20
4	A	1529	1479	1.27	4.06	0.75	0.86
5	A	1441	1393	22.13	1.63	0.75	0.86
6	A	1393	1347	18.32	2.57	0.59	0.74
7	A	1264	1222	8.45	3.27	0.61	0.76
8	A	1133	1096	120.90	4.87	0.13	0.24
9	A	1064	1029	102.35	0.60	0.32	0.48
10	A	982	950	178.77	4.04	0.46	0.63
11	A	537	519	26.97	1.22	0.49	0.65
12	A	381	369	116.04	1.74	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.511	0.047
F2	1.136	-0.311	-0.025
O3	-1.143	-0.217	-0.120
H4	0.066	1.011	1.017
H5	0.074	1.220	-0.776
H6	-1.298	-0.764	0.657

	C1	F2	O3	H4	H5	H6
C1		1.3930	1.3763	1.0928	1.0879	1.9282
F2	1.3930		2.2819	1.9941	2.0091	2.5679
O3	1.3763	2.2819		2.0644	1.9943	0.9623
H4	1.0928	1.9941	2.0644		1.8055	2.2672
H5	1.0879	2.0091	1.9943	1.8055		2.8059
H6	1.9282	2.5679	0.9623	2.2672	2.8059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.814	F2	C1	O3	110.972
F2	C1	H4	106.050	F2	C1	H5	107.518
O3	C1	H4	112.955	O3	C1	H5	107.479
H4	C1	H5	111.772

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.484
2	F	-0.428
3	O	-0.552
4	H	0.133
5	H	0.137
6	H	0.228

	x	y	z	Total
	-0.829	0.879	1.469	1.902
CHELPG
AIM
ESP

	x	y	z
x	3.428	0.119	-0.037
y	0.119	3.121	-0.046
z	-0.037	-0.046	2.919

<r²>	42.814
(<r²>)^1/2	6.543

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)