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	hartrees
Energy at 0K	-214.930037
Energy at 298.15K
HF Energy	-214.930037
Nuclear repulsion energy	79.153372

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	3886	3699	53.11	69.17	0.23	0.38
2	A	3178	3024	29.66	68.13	0.53	0.69
3	A	3076	2928	60.92	106.12	0.13	0.24
4	A	1540	1466	3.16	7.02	0.75	0.85
5	A	1452	1382	37.66	5.55	0.75	0.86
6	A	1394	1327	14.58	4.52	0.72	0.84
7	A	1268	1207	5.71	5.69	0.67	0.80
8	A	1177	1120	166.85	3.63	0.18	0.31
9	A	1074	1022	116.19	1.47	0.34	0.50
10	A	1016	967	152.86	4.21	0.44	0.61
11	A	545	519	41.47	1.36	0.58	0.73
12	A	402	382	137.95	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.011	0.511	0.048
F2	1.133	-0.310	-0.027
O3	-1.141	-0.215	-0.118
H4	0.069	1.008	1.022
H5	0.069	1.224	-0.774
H6	-1.275	-0.789	0.644

	C1	F2	O3	H4	H5	H6
C1		1.3920	1.3717	1.0955	1.0900	1.9229
F2	1.3920		2.2777	1.9924	2.0109	2.5452
O3	1.3717	2.2777		2.0643	1.9917	0.9627
H4	1.0955	1.9924	2.0643		1.8092	2.2759
H5	1.0900	2.0109	1.9917	1.8092		2.8051
H6	1.9229	2.5452	0.9627	2.2759	2.8051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.679	F2	C1	O3	111.002
F2	C1	H4	105.823	F2	C1	H5	107.608
O3	C1	H4	113.109	O3	C1	H5	107.456
H4	C1	H5	111.748

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: mPW1PW91/6-31+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	0.162
2	F	-0.330
3	O	-0.489
4	H	0.138
5	H	0.157
6	H	0.362

	x	y	z	Total
	-0.804	0.858	1.591	1.978
CHELPG
AIM
ESP

	x	y	z
x	2.994	0.138	-0.026
y	0.138	2.776	-0.051
z	-0.026	-0.051	2.621

<r²>	42.642
(<r²>)^1/2	6.530

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)