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	hartrees
Energy at 0K	-213.543926
Energy at 298.15K
HF Energy	-213.543926
Nuclear repulsion energy	76.777601

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	3354	3324	1.28	98.40	0.32	0.48
2	A	3024	2997	53.13	87.04	0.38	0.55
3	A	2907	2880	98.16	93.56	0.22	0.36
4	A	1533	1519	1.46	15.59	0.72	0.84
5	A	1427	1414	30.42	11.82	0.74	0.85
6	A	1380	1367	12.16	10.41	0.75	0.85
7	A	1228	1217	5.92	13.70	0.71	0.83
8	A	1052	1042	18.92	5.94	0.36	0.53
9	A	1026	1016	181.61	2.36	0.55	0.71
10	A	975	966	79.74	2.81	0.31	0.47
11	A	519	514	78.08	3.27	0.68	0.81
12	A	390	386	91.75	9.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.516	0.052
F2	1.176	-0.312	-0.031
O3	-1.189	-0.217	-0.118
H4	0.071	1.050	1.024
H5	0.023	1.242	-0.777
H6	-1.280	-0.845	0.665

	C1	F2	O3	H4	H5	H6
C1		1.4255	1.4234	1.1102	1.1017	1.9787
F2	1.4255		2.3693	2.0472	2.0740	2.6080
O3	1.4234	2.3693		2.1202	2.0082	1.0073
H4	1.1102	2.0472	2.1202		1.8114	2.3546
H5	1.1017	2.0740	2.0082	1.8114		2.8515
H6	1.9787	2.6080	1.0073	2.3546	2.8515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.754	F2	C1	O3	112.536
F2	C1	H4	107.025	F2	C1	H5	109.646
O3	C1	H4	113.028	O3	C1	H5	104.642
H4	C1	H5	109.954

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBE/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	0.052
2	F	-0.270
3	O	-0.520
4	H	0.178
5	H	0.216
6	H	0.345

	x	y	z	Total
	-0.562	0.503	1.547	1.721
CHELPG
AIM
ESP

	x	y	z
x	2.306	0.279	-0.055
y	0.279	2.186	-0.277
z	-0.055	-0.277	2.062

<r²>	44.412
(<r²>)^1/2	6.664

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)