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	hartrees
Energy at 0K	-46.790737
Energy at 298.15K
HF Energy	-46.790737
Nuclear repulsion energy	47.301033

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	4145	3722	62.29	65.42	0.30	0.46
2	A	3382	3037	75.96	60.80	0.50	0.67
3	A	3281	2947	110.28	100.77	0.14	0.24
4	A	1675	1504	8.43	8.01	0.70	0.82
5	A	1595	1432	87.90	4.08	0.75	0.86
6	A	1509	1355	34.44	6.59	0.74	0.85
7	A	1376	1236	13.95	5.75	0.73	0.85
8	A	1256	1128	214.63	5.74	0.42	0.59
9	A	1179	1059	149.53	3.36	0.29	0.45
10	A	1125	1010	110.39	3.40	0.56	0.72
11	A	587	527	45.85	1.76	0.60	0.75
12	A	393	353	157.06	3.72	0.75	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.512	0.048
F2	1.115	-0.314	-0.028
O3	-1.137	-0.208	-0.112
H4	0.077	1.005	1.019
H5	0.083	1.225	-0.766
H6	-1.240	-0.815	0.613

	C1	F2	O3	H4	H5	H6
C1		1.3708	1.3751	1.0898	1.0842	1.9175
F2	1.3708		2.2561	1.9783	1.9948	2.4916
O3	1.3751	2.2561		2.0551	1.9922	0.9517
H4	1.0898	1.9783	2.0551		1.7983	2.2829
H5	1.0842	1.9948	1.9922	1.7983		2.7955
H6	1.9175	2.4916	0.9517	2.2829	2.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.655	F2	C1	O3	110.499
F2	C1	H4	106.462	F2	C1	H5	108.128
O3	C1	H4	112.453	O3	C1	H5	107.620
H4	C1	H5	111.620

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/CEP-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	0.036
2	F	-0.280
3	O	-0.502
4	H	0.144
5	H	0.169
6	H	0.434

	x	y	z	Total
	-0.625	0.857	1.653	1.964
CHELPG
AIM
ESP

	x	y	z
x	2.174	0.157	-0.023
y	0.157	2.178	-0.152
z	-0.023	-0.152	2.050

<r²>	36.027
(<r²>)^1/2	6.002

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)