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	hartrees
Energy at 0K	-215.022611
Energy at 298.15K
HF Energy	-215.022611
Nuclear repulsion energy	78.956515

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	3773	3646	18.83	78.45	0.32	0.49
2	A	3132	3027	47.69	73.79	0.46	0.63
3	A	3026	2924	81.93	101.06	0.16	0.28
4	A	1542	1490	3.23	7.83	0.74	0.85
5	A	1475	1425	47.58	7.08	0.75	0.86
6	A	1414	1367	17.13	6.19	0.74	0.85
7	A	1274	1232	9.09	7.71	0.73	0.84
8	A	1142	1104	141.11	3.14	0.27	0.42
9	A	1084	1047	95.84	1.70	0.54	0.70
10	A	999	966	165.68	3.21	0.55	0.71
11	A	551	533	55.08	2.03	0.63	0.77
12	A	416	402	125.04	5.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.012	0.511	0.049
F2	1.137	-0.309	-0.028
O3	-1.147	-0.214	-0.116
H4	0.070	1.013	1.022
H5	0.061	1.223	-0.774
H6	-1.263	-0.805	0.638

	C1	F2	O3	H4	H5	H6
C1		1.3939	1.3772	1.0963	1.0897	1.9250
F2	1.3939		2.2876	1.9970	2.0159	2.5396
O3	1.3772	2.2876		2.0687	1.9894	0.9648
H4	1.0963	1.9970	2.0687		1.8084	2.2866
H5	1.0897	2.0159	1.9894	1.8084		2.8037
H6	1.9250	2.5396	0.9648	2.2866	2.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.296	F2	C1	O3	111.281
F2	C1	H4	106.011	F2	C1	H5	107.897
O3	C1	H4	113.028	O3	C1	H5	106.926
H4	C1	H5	111.642

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYPultrafine/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	0.045
2	F	-0.280
3	O	-0.524
4	H	0.175
5	H	0.197
6	H	0.387

	x	y	z	Total
	-0.732	0.657	1.562	1.846
CHELPG
AIM
ESP

	x	y	z
x	2.499	0.220	-0.050
y	0.220	2.420	-0.169
z	-0.050	-0.169	2.296

<r²>	42.638
(<r²>)^1/2	6.530

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)