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	hartrees
Energy at 0K	-213.724026
Energy at 298.15K
HF Energy	-213.724026
Nuclear repulsion energy	77.717939

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	3567	3387	7.52	92.10	0.32	0.48
2	A	3154	2995	47.47	77.31	0.41	0.58
3	A	3042	2888	83.81	89.63	0.20	0.33
4	A	1594	1514	1.51	14.59	0.72	0.84
5	A	1486	1412	31.23	9.74	0.74	0.85
6	A	1419	1348	16.26	10.30	0.75	0.86
7	A	1280	1216	6.84	12.03	0.72	0.84
8	A	1108	1052	105.13	3.96	0.44	0.61
9	A	1084	1029	110.52	4.27	0.39	0.56
10	A	1026	975	93.82	2.80	0.31	0.47
11	A	534	507	80.92	2.58	0.68	0.81
12	A	391	372	119.17	8.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.514	0.051
F2	1.159	-0.312	-0.030
O3	-1.174	-0.212	-0.114
H4	0.072	1.036	1.014
H5	0.038	1.233	-0.767
H6	-1.274	-0.852	0.634

	C1	F2	O3	H4	H5	H6
C1		1.4092	1.4070	1.0969	1.0891	1.9706
F2	1.4092		2.3363	2.0226	2.0465	2.5795
O3	1.4070	2.3363		2.0931	1.9950	0.9897
H4	1.0969	2.0226	2.0931		1.7925	2.3501
H5	1.0891	2.0465	1.9950	1.7925		2.8339
H6	1.9706	2.5795	0.9897	2.3501	2.8339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.373	F2	C1	O3	112.113
F2	C1	H4	106.967	F2	C1	H5	109.334
O3	C1	H4	112.841	O3	C1	H5	105.408
H4	C1	H5	110.173

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: mPW1PW91/3-21G*

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	0.114
2	F	-0.318
3	O	-0.584
4	H	0.191
5	H	0.230
6	H	0.366

	x	y	z	Total
	-0.572	0.632	1.621	1.832
CHELPG
AIM
ESP

	x	y	z
x	2.114	0.252	-0.048
y	0.252	2.053	-0.255
z	-0.048	-0.255	1.936

<r²>	43.557
(<r²>)^1/2	6.600

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)