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	hartrees
Energy at 0K	-214.965708
Energy at 298.15K
HF Energy	-214.965708
Nuclear repulsion energy	79.441122

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	3842	3667	23.59	73.34	0.32	0.49
2	A	3162	3017	47.54	69.91	0.46	0.63
3	A	3054	2915	82.23	98.23	0.16	0.27
4	A	1551	1480	3.39	7.66	0.74	0.85
5	A	1486	1418	50.89	6.78	0.75	0.86
6	A	1425	1360	17.51	6.22	0.74	0.85
7	A	1289	1230	8.18	7.35	0.73	0.84
8	A	1177	1124	161.98	2.79	0.28	0.44
9	A	1096	1046	105.47	1.90	0.46	0.63
10	A	1036	989	143.64	2.92	0.57	0.73
11	A	562	537	55.02	1.92	0.63	0.77
12	A	420	401	130.41	4.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.506	0.048
F2	1.128	-0.308	-0.028
O3	-1.139	-0.212	-0.116
H4	0.070	1.009	1.020
H5	0.063	1.221	-0.772
H6	-1.258	-0.798	0.636

	C1	F2	O3	H4	H5	H6
C1		1.3822	1.3691	1.0956	1.0889	1.9147
F2	1.3822		2.2715	1.9881	2.0066	2.5250
O3	1.3691	2.2715		2.0604	1.9827	0.9603
H4	1.0956	1.9881	2.0604		1.8046	2.2755
H5	1.0889	2.0066	1.9827	1.8046		2.7937
H6	1.9147	2.5250	0.9603	2.2755	2.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.308	F2	C1	O3	111.300
F2	C1	H4	106.137	F2	C1	H5	107.999
O3	C1	H4	112.967	O3	C1	H5	106.985
H4	C1	H5	111.400

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: mPW1PW91/6-311G*

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	0.033
2	F	-0.278
3	O	-0.539
4	H	0.182
5	H	0.205
6	H	0.398

	x	y	z	Total
	-0.711	0.637	1.578	1.844
CHELPG
AIM
ESP

	x	y	z
x	2.439	0.208	-0.045
y	0.208	2.375	-0.159
z	-0.045	-0.159	2.263

<r²>	42.158
(<r²>)^1/2	6.493

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)