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	hartrees
Energy at 0K	-214.858011
Energy at 298.15K
HF Energy	-214.858011
Nuclear repulsion energy	76.275740

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	3463	3437	5.60	102.73	0.31	0.47
2	A	3093	3069	40.00	82.11	0.44	0.61
3	A	2969	2947	73.19	104.28	0.17	0.29
4	A	1507	1496	1.25	12.48	0.71	0.83
5	A	1409	1398	28.55	10.76	0.75	0.86
6	A	1349	1339	9.73	9.34	0.75	0.86
7	A	1193	1184	6.23	12.46	0.71	0.83
8	A	1039	1031	17.40	6.67	0.34	0.51
9	A	995	987	190.06	1.58	0.59	0.74
10	A	902	895	129.11	4.67	0.35	0.52
11	A	498	494	97.95	3.99	0.68	0.81
12	A	393	390	96.29	9.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.530	0.051
F2	1.191	-0.313	-0.029
O3	-1.190	-0.224	-0.117
H4	0.064	1.037	1.029
H5	0.033	1.237	-0.786
H6	-1.314	-0.847	0.645

	C1	F2	O3	H4	H5	H6
C1		1.4588	1.4213	1.1040	1.0963	1.9962
F2	1.4588		2.3841	2.0527	2.0785	2.6479
O3	1.4213	2.3841		2.1160	2.0195	0.9920
H4	1.1040	2.0527	2.1160		1.8271	2.3664
H5	1.0963	2.0785	2.0195	1.8271		2.8649
H6	1.9962	2.6479	0.9920	2.3664	2.8649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.351	F2	C1	O3	111.737
F2	C1	H4	105.605	F2	C1	H5	108.032
O3	C1	H4	113.237	O3	C1	H5	105.949
H4	C1	H5	112.269

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/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	0.199
2	F	-0.312
3	O	-0.525
4	H	0.125
5	H	0.155
6	H	0.356

	x	y	z	Total
	-0.813	0.756	1.680	2.014
CHELPG
AIM
ESP

	x	y	z
x	2.604	0.269	-0.049
y	0.269	2.322	-0.255
z	-0.049	-0.255	2.165

<r²>	45.123
(<r²>)^1/2	6.717

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)