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	hartrees
Energy at 0K	-254.189266
Energy at 298.15K
HF Energy	-254.189266
Nuclear repulsion energy	131.097793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3789	3657	37.09
2	A	3113	3004	42.44
3	A	3094	2986	32.10
4	A	3047	2941	29.57
5	A	2991	2886	53.57
6	A	1470	1419	1.05
7	A	1468	1416	7.17
8	A	1430	1380	44.13
9	A	1398	1349	18.74
10	A	1372	1324	0.68
11	A	1256	1212	9.70
12	A	1224	1181	9.78
13	A	1137	1097	52.04
14	A	1108	1070	51.06
15	A	1063	1025	62.52
16	A	905	874	15.06
17	A	869	838	31.34
18	A	520	502	7.80
19	A	431	416	119.41
20	A	317	306	11.06
21	A	151	145	11.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.579	0.274
C2	-0.716	0.567	-0.274
O3	1.434	-0.526	-0.184
F4	-1.341	-0.606	0.158
H5	1.210	1.489	-0.070
H6	0.648	0.619	1.381
H7	-1.305	1.428	0.084
H8	-0.709	0.553	-1.376
H9	0.905	-1.308	0.033

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5097	1.4086	2.3555	1.1022	1.1093	2.1776	2.1643	1.9143
C2	1.5097		2.4139	1.3978	2.1446	2.1454	1.1032	1.1027	2.4974
O3	1.4086	2.4139		2.7978	2.0312	2.0930	3.3760	2.6798	0.9685
F4	2.3555	1.3978	2.7978		3.3089	2.6370	2.0357	2.0240	2.3569
H5	1.1022	2.1446	2.0312	3.3089		1.7830	2.5204	2.5033	2.8154
H6	1.1093	2.1454	2.0930	2.6370	1.7830		2.4805	3.0744	2.3655
H7	2.1776	1.1032	3.3760	2.0357	2.5204	2.4805		1.8042	3.5177
H8	2.1643	1.1027	2.6798	2.0240	2.5033	3.0744	1.8042		2.8381
H9	1.9143	2.4974	0.9685	2.3569	2.8154	2.3655	3.5177	2.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.159	C1	C2	H7	111.958
C1	C2	H8	110.925	C1	O3	H9	105.785
C2	C1	O3	111.569	C2	C1	H5	109.396
C2	C1	H6	109.040	O3	C1	H5	107.357
O3	C1	H6	111.902

All results from a given calculation for CH₂FCH₂OH (2-fluoroethanol)

using model chemistry: B3PW91/cc-pVDZ

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	0.070
2	C	0.161
3	O	-0.281
4	F	-0.264
5	H	0.045
6	H	0.035
7	H	0.036
8	H	0.045
9	H	0.152

	x	y	z	Total
	-0.531	1.228	0.175	1.350
CHELPG
AIM
ESP

	x	y	z
x	4.085	-0.093	0.035
y	-0.093	4.247	0.045
z	0.035	0.045	3.775

<r²>	79.872
(<r²>)^1/2	8.937

All results from a given calculation for CH2FCH2OH (2-fluoroethanol)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FCH₂OH (2-fluoroethanol)