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	hartrees
Energy at 0K	-214.912775
Energy at 298.15K
HF Energy	-214.912775
Nuclear repulsion energy	79.252545

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	3883	3714	53.29	70.08	0.24	0.38
2	A	3176	3038	30.22	68.42	0.53	0.69
3	A	3075	2942	61.38	105.61	0.13	0.24
4	A	1537	1470	3.43	7.17	0.75	0.85
5	A	1449	1386	38.96	5.68	0.75	0.86
6	A	1390	1329	14.44	4.67	0.72	0.84
7	A	1265	1210	5.46	5.84	0.66	0.80
8	A	1179	1128	171.06	3.63	0.18	0.31
9	A	1072	1026	124.36	1.70	0.31	0.48
10	A	1019	975	143.67	4.12	0.45	0.62
11	A	545	521	42.34	1.34	0.58	0.73
12	A	400	383	136.69	2.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.011	0.511	0.048
F2	1.131	-0.310	-0.027
O3	-1.139	-0.215	-0.117
H4	0.070	1.008	1.021
H5	0.069	1.224	-0.773
H6	-1.273	-0.789	0.643

	C1	F2	O3	H4	H5	H6
C1		1.3901	1.3701	1.0945	1.0890	1.9216
F2	1.3901		2.2739	1.9901	2.0088	2.5414
O3	1.3701	2.2739		2.0624	1.9897	0.9623
H4	1.0945	1.9901	2.0624		1.8074	2.2746
H5	1.0890	2.0088	1.9897	1.8074		2.8031
H6	1.9216	2.5414	0.9623	2.2746	2.8031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.712	F2	C1	O3	110.932
F2	C1	H4	105.838	F2	C1	H5	107.630
O3	C1	H4	113.133	O3	C1	H5	107.471
H4	C1	H5	111.739

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B1B95/6-31+G**

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	0.191
2	F	-0.336
3	O	-0.494
4	H	0.130
5	H	0.149
6	H	0.360

	x	y	z	Total
	-0.806	0.855	1.586	1.974
CHELPG
AIM
ESP

	x	y	z
x	2.984	0.142	-0.027
y	0.142	2.778	-0.054
z	-0.027	-0.054	2.624

<r²>	42.547
(<r²>)^1/2	6.523

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)