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	hartrees
Energy at 0K	-214.984633
Energy at 298.15K
HF Energy	-214.984633
Nuclear repulsion energy	79.458938

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	3861	3695	47.57	73.27	0.26	0.42
2	A	3153	3017	33.75	68.37	0.47	0.64
3	A	3056	2924	65.84	109.76	0.13	0.23
4	A	1535	1469	3.82	6.61	0.75	0.85
5	A	1464	1401	36.58	6.52	0.75	0.86
6	A	1398	1338	14.80	5.79	0.75	0.86
7	A	1275	1220	6.28	6.86	0.71	0.83
8	A	1165	1115	147.91	3.29	0.24	0.39
9	A	1078	1032	124.22	1.47	0.43	0.60
10	A	1023	979	151.52	3.38	0.55	0.71
11	A	554	530	40.86	1.84	0.58	0.74
12	A	405	388	129.53	3.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.507	0.048
F2	1.128	-0.309	-0.027
O3	-1.138	-0.214	-0.118
H4	0.069	1.007	1.018
H5	0.070	1.221	-0.771
H6	-1.272	-0.781	0.645

	C1	F2	O3	H4	H5	H6
C1		1.3829	1.3689	1.0927	1.0870	1.9161
F2	1.3829		2.2693	1.9859	2.0033	2.5364
O3	1.3689	2.2693		2.0583	1.9858	0.9602
H4	1.0927	1.9859	2.0583		1.8011	2.2662
H5	1.0870	2.0033	1.9858	1.8011		2.7954
H6	1.9161	2.5364	0.9602	2.2662	2.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.455	F2	C1	O3	111.106
F2	C1	H4	106.080	F2	C1	H5	107.799
O3	C1	H4	112.990	O3	C1	H5	107.357
H4	C1	H5	111.433

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B1B95/TZVP

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	0.112
2	F	-0.242
3	O	-0.358
4	H	0.093
5	H	0.114
6	H	0.282

	x	y	z	Total
	-0.783	0.806	1.565	1.927
CHELPG
AIM
ESP

	x	y	z
x	2.781	0.165	-0.043
y	0.165	2.651	-0.107
z	-0.043	-0.107	2.523

<r²>	42.305
(<r²>)^1/2	6.504

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B1B95/TZVP

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)