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	hartrees
Energy at 0K	-213.957797
Energy at 298.15K
HF Energy	-213.957797
Nuclear repulsion energy	80.435358

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	4155	3758	48.10	62.69	0.33	0.50
2	A	3338	3019	60.59	64.39	0.46	0.63
3	A	3237	2928	91.31	92.85	0.16	0.27
4	A	1688	1527	5.95	7.19	0.75	0.86
5	A	1618	1463	73.42	4.80	0.75	0.85
6	A	1530	1384	32.67	6.43	0.73	0.85
7	A	1400	1266	17.55	5.88	0.75	0.85
8	A	1263	1142	202.38	4.08	0.35	0.52
9	A	1188	1075	131.69	2.17	0.44	0.61
10	A	1134	1025	129.09	2.80	0.59	0.74
11	A	601	544	52.66	1.55	0.63	0.78
12	A	413	374	156.11	3.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.506	0.047
F2	1.107	-0.311	-0.028
O3	-1.127	-0.205	-0.110
H4	0.077	1.001	1.009
H5	0.081	1.215	-0.761
H6	-1.242	-0.812	0.599

	C1	F2	O3	H4	H5	H6
C1		1.3597	1.3608	1.0831	1.0770	1.9081
F2	1.3597		2.2383	1.9639	1.9799	2.4824
O3	1.3608	2.2383		2.0387	1.9742	0.9409
H4	1.0831	1.9639	2.0387		1.7837	2.2791
H5	1.0770	1.9799	1.9742	1.7837		2.7764
H6	1.9081	2.4824	0.9409	2.2791	2.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.666	F2	C1	O3	110.723
F2	C1	H4	106.465	F2	C1	H5	108.127
O3	C1	H4	112.561	O3	C1	H5	107.586
H4	C1	H5	111.321

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/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	0.194
2	F	-0.348
3	O	-0.632
4	H	0.171
5	H	0.193
6	H	0.422

	x	y	z	Total
	-0.639	0.763	1.614	1.896
CHELPG
AIM
ESP

	x	y	z
x	2.141	0.175	-0.039
y	0.175	2.182	-0.152
z	-0.039	-0.152	2.089

<r²>	41.392
(<r²>)^1/2	6.434

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)