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	hartrees
Energy at 0K	-214.837096
Energy at 298.15K
HF Energy	-214.837096
Nuclear repulsion energy	79.403041

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	3861	51.20	73.26	0.18	0.31
2	A	3128	3128	27.88	63.79	0.46	0.63
3	A	3041	3041	56.19	117.49	0.09	0.17
4	A	1525	1525	1.39	3.64	0.73	0.85
5	A	1439	1439	26.41	1.45	0.74	0.85
6	A	1399	1399	16.61	2.54	0.46	0.63
7	A	1268	1268	6.66	3.22	0.56	0.72
8	A	1164	1164	144.26	4.27	0.13	0.23
9	A	1071	1071	122.88	1.38	0.17	0.29
10	A	1025	1025	132.37	3.34	0.48	0.65
11	A	547	547	25.40	1.07	0.49	0.66
12	A	386	386	113.13	1.61	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.016	0.507	0.046
F2	1.128	-0.310	-0.024
O3	-1.137	-0.216	-0.120
H4	0.066	1.011	1.017
H5	0.075	1.220	-0.776
H6	-1.293	-0.752	0.661

	C1	F2	O3	H4	H5	H6
C1		1.3822	1.3707	1.0950	1.0901	1.9176
F2	1.3822		2.2692	1.9897	2.0036	2.5555
O3	1.3707	2.2692		2.0606	1.9907	0.9603
H4	1.0950	1.9897	2.0606		1.8053	2.2548
H5	1.0901	2.0036	1.9907	1.8053		2.7981
H6	1.9176	2.5555	0.9603	2.2548	2.7981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.434	F2	C1	O3	111.031
F2	C1	H4	106.294	F2	C1	H5	107.685
O3	C1	H4	112.901	O3	C1	H5	107.439
H4	C1	H5	111.408

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBE1PBE/daug-cc-pVTZ

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	0.250
2	F	-0.698
3	O	-0.726
4	H	0.502
5	H	0.496
6	H	0.176

	x	y	z	Total
	-0.796	0.820	1.447	1.844
CHELPG
AIM
ESP

	x	y	z
x	3.457	0.125	-0.036
y	0.125	3.221	-0.051
z	-0.036	-0.051	3.044

<r²>	42.401
(<r²>)^1/2	6.512

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBE1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)