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	hartrees
Energy at 0K	-46.795643
Energy at 298.15K
HF Energy	-46.795643
Nuclear repulsion energy	47.355239

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	4124	3726	56.71	62.91	0.31	0.47
2	A	3347	3024	58.49	61.70	0.50	0.67
3	A	3247	2933	90.43	101.10	0.13	0.24
4	A	1678	1516	7.56	7.04	0.75	0.86
5	A	1598	1443	84.02	5.24	0.75	0.85
6	A	1513	1367	31.51	6.01	0.74	0.85
7	A	1379	1246	13.24	6.83	0.74	0.85
8	A	1247	1127	203.85	5.13	0.34	0.50
9	A	1178	1064	142.81	2.61	0.34	0.51
10	A	1123	1015	125.17	3.23	0.53	0.69
11	A	587	531	45.82	1.41	0.60	0.75
12	A	398	360	152.98	2.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.512	0.048
F2	1.115	-0.314	-0.028
O3	-1.136	-0.208	-0.112
H4	0.076	1.004	1.014
H5	0.083	1.222	-0.764
H6	-1.241	-0.810	0.613

	C1	F2	O3	H4	H5	H6
C1		1.3713	1.3735	1.0857	1.0802	1.9147
F2	1.3713		2.2546	1.9754	1.9917	2.4919
O3	1.3735	2.2546		2.0510	1.9890	0.9484
H4	1.0857	1.9754	2.0510		1.7913	2.2776
H5	1.0802	1.9917	1.9890	1.7913		2.7894
H6	1.9147	2.4919	0.9484	2.2776	2.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.742	F2	C1	O3	110.449
F2	C1	H4	106.442	F2	C1	H5	108.079
O3	C1	H4	112.502	O3	C1	H5	107.714
H4	C1	H5	111.588

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/CEP-121G*

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	0.199
2	F	-0.342
3	O	-0.593
4	H	0.135
5	H	0.154
6	H	0.447

	x	y	z	Total
	-0.638	0.845	1.616	1.932
CHELPG
AIM
ESP

	x	y	z
x	2.318	0.157	-0.034
y	0.157	2.362	-0.130
z	-0.034	-0.130	2.279

<r²>	36.001
(<r²>)^1/2	6.000

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)