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	hartrees
Energy at 0K	-215.017943
Energy at 298.15K
HF Energy	-215.017943
Nuclear repulsion energy	78.843559

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	3742	3604	14.23	78.92	0.32	0.49
2	A	3144	3029	49.22	73.59	0.47	0.64
3	A	3034	2923	83.38	102.91	0.16	0.28
4	A	1550	1493	3.68	7.84	0.74	0.85
5	A	1474	1420	49.45	7.17	0.75	0.86
6	A	1415	1363	13.45	6.34	0.74	0.85
7	A	1271	1225	8.36	7.63	0.73	0.84
8	A	1135	1093	133.93	3.52	0.25	0.40
9	A	1077	1038	103.02	1.67	0.56	0.72
10	A	994	957	167.82	3.19	0.53	0.69
11	A	547	526	58.93	2.13	0.63	0.77
12	A	420	404	116.96	5.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.012	0.513	0.049
F2	1.139	-0.309	-0.028
O3	-1.148	-0.216	-0.117
H4	0.070	1.011	1.023
H5	0.058	1.221	-0.777
H6	-1.261	-0.802	0.644

	C1	F2	O3	H4	H5	H6
C1		1.3969	1.3800	1.0956	1.0889	1.9243
F2	1.3969		2.2906	1.9978	2.0172	2.5403
O3	1.3800	2.2906		2.0706	1.9887	0.9670
H4	1.0956	1.9978	2.0706		1.8123	2.2805
H5	1.0889	2.0172	1.9887	1.8123		2.8019
H6	1.9243	2.5403	0.9670	2.2805	2.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.875	F2	C1	O3	111.153
F2	C1	H4	105.923	F2	C1	H5	107.844
O3	C1	H4	113.023	O3	C1	H5	106.724
H4	C1	H5	112.121

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: TPSSh/6-311G*

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	0.061
2	F	-0.285
3	O	-0.530
4	H	0.173
5	H	0.195
6	H	0.386

	x	y	z	Total
	-0.727	0.676	1.559	1.848
CHELPG
AIM
ESP

	x	y	z
x	2.532	0.219	-0.047
y	0.219	2.430	-0.169
z	-0.047	-0.169	2.306

<r²>	42.658
(<r²>)^1/2	6.531

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)