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	hartrees
Energy at 0K	-211.925681
Energy at 298.15K
HF Energy	-211.925681
Nuclear repulsion energy	76.795815

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	3773	3331	28.59	41.95	0.29	0.45
2	A	3325	2936	11.90	35.56	0.61	0.76
3	A	3194	2820	31.74	40.06	0.18	0.30
4	A	1650	1457	1.87	12.12	0.74	0.85
5	A	1582	1397	25.39	13.79	0.69	0.82
6	A	1508	1332	19.82	3.43	0.74	0.85
7	A	1304	1151	2.42	8.38	0.71	0.83
8	A	1203	1062	48.20	3.11	0.66	0.80
9	A	1129	997	16.11	4.81	0.23	0.37
10	A	1053	930	27.08	1.04	0.69	0.82
11	A	502	444	26.81	1.54	0.68	0.81
12	A	368	325	65.56	8.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	0.519	0.051
F2	1.156	-0.320	-0.034
O3	-1.197	-0.217	-0.118
H4	0.071	1.068	1.033
H5	0.051	1.275	-0.774
H6	-1.188	-0.838	0.692

	C1	F2	O3	H4	H5	H6
C1		1.4004	1.4485	1.1253	1.1188	1.9384
F2	1.4004		2.3572	2.0600	2.0770	2.5083
O3	1.4485	2.3572		2.1414	2.0524	1.0211
H4	1.1253	2.0600	2.1414		1.8191	2.3092
H5	1.1188	2.0770	2.0524	1.8191		2.8543
H6	1.9384	2.5083	1.0211	2.3092	2.8543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	102.026	F2	C1	O3	111.656
F2	C1	H4	108.807	F2	C1	H5	110.569
O3	C1	H4	111.997	O3	C1	H5	105.431
H4	C1	H5	108.306

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B1B95/STO-3G

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	0.044
2	F	-0.115
3	O	-0.253
4	H	0.063
5	H	0.080
6	H	0.180

	x	y	z	Total
	0.042	0.276	1.153	1.186
CHELPG
AIM
ESP

	x	y	z
x	1.446	0.176	-0.074
y	0.176	1.383	-0.274
z	-0.074	-0.274	1.206

<r²>	43.298
(<r²>)^1/2	6.580

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)