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	hartrees
Energy at 0K	-214.887788
Energy at 298.15K	-214.883355
HF Energy	-214.976234
Nuclear repulsion energy	79.263802

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	3809	3676	30.02	69.50	0.28	0.44
2	A	3086	2978	46.86	66.32	0.46	0.63
3	A	2997	2892	71.67	88.77	0.15	0.26
4	A	1530	1477	1.43	7.91	0.73	0.84
5	A	1468	1417	38.68	5.12	0.75	0.86
6	A	1407	1357	21.56	5.14	0.73	0.84
7	A	1273	1228	6.85	7.42	0.71	0.83
8	A	1140	1100	112.19	3.81	0.23	0.38
9	A	1080	1042	148.25	2.02	0.32	0.49
10	A	1040	1004	77.92	2.36	0.54	0.70
11	A	543	524	26.42	1.55	0.58	0.74
12	A	376	363	108.20	3.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.505	0.047
F2	1.128	-0.311	-0.027
O3	-1.144	-0.213	-0.118
H4	0.070	1.021	1.018
H5	0.068	1.227	-0.775
H6	-1.271	-0.776	0.654

	C1	F2	O3	H4	H5	H6
C1		1.3758	1.3801	1.1001	1.0948	1.9187
F2	1.3758		2.2763	1.9963	2.0120	2.5363
O3	1.3801	2.2763		2.0705	1.9932	0.9636
H4	1.1001	1.9963	2.0705		1.8041	2.2716
H5	1.0948	2.0120	1.9932	1.8041		2.8004
H6	1.9187	2.5363	0.9636	2.2716	2.8004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.591	F2	C1	O3	111.378
F2	C1	H4	106.952	F2	C1	H5	108.512
O3	C1	H4	112.708	O3	C1	H5	106.705
H4	C1	H5	110.551

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: G4

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	0.022
2	F	-0.147
3	O	-0.376
4	H	0.090
5	H	0.115
6	H	0.296

	x	y	z	Total
	-0.628	0.560	1.355	1.595
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	42.177
(<r²>)^1/2	6.494

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: G4

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)