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	hartrees
Energy at 0K	-254.104898
Energy at 298.15K
HF Energy	-254.104898
Nuclear repulsion energy	129.476833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3663	3508	15.00
2	A	3167	3033	35.77
3	A	3146	3013	22.05
4	A	3094	2964	24.03
5	A	3044	2916	42.17
6	A	1540	1475	4.11
7	A	1537	1472	2.37
8	A	1434	1373	19.85
9	A	1426	1366	5.25
10	A	1394	1335	14.83
11	A	1259	1206	15.51
12	A	1231	1179	12.38
13	A	1133	1085	1.30
14	A	1089	1043	65.77
15	A	1022	979	50.48
16	A	904	866	21.80
17	A	868	831	39.98
18	A	512	491	12.55
19	A	439	421	191.07
20	A	315	302	12.20
21	A	148	142	16.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.595	0.291
C2	-0.710	0.593	-0.288
O3	1.444	-0.533	-0.190
F4	-1.355	-0.623	0.160
H5	1.227	1.487	-0.029
H6	0.627	0.600	1.389
H7	-1.312	1.437	0.059
H8	-0.688	0.560	-1.380
H9	0.951	-1.350	0.021

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5085	1.4429	2.3777	1.0925	1.0991	2.1776	2.1617	1.9819
C2	1.5085		2.4322	1.4470	2.1490	2.1443	1.0935	1.0927	2.5743
O3	1.4429	2.4322		2.8221	2.0377	2.1072	3.3965	2.6752	0.9776
F4	2.3777	1.4470	2.8221		3.3395	2.6326	2.0630	2.0531	2.4216
H5	1.0925	2.1490	2.0377	3.3395		1.7770	2.5405	2.5201	2.8508
H6	1.0991	2.1443	2.1072	2.6326	1.7770		2.4955	3.0652	2.4032
H7	2.1776	1.0935	3.3965	2.0630	2.5405	2.4955		1.7968	3.5901
H8	2.1617	1.0927	2.6752	2.0531	2.5201	3.0652	1.7968		2.8804
H9	1.9819	2.5743	0.9776	2.4216	2.8508	2.4032	3.5901	2.8804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.108	C1	C2	H7	112.651
C1	C2	H8	111.408	C1	O3	H9	108.396
C2	C1	O3	110.973	C2	C1	H5	110.401
C2	C1	H6	109.635	O3	C1	H5	106.143
O3	C1	H6	111.264

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

using model chemistry: B3PW91/6-31G

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	-0.102
2	C	-0.016
3	O	-0.614
4	F	-0.359
5	H	0.187
6	H	0.172
7	H	0.167
8	H	0.186
9	H	0.380

	x	y	z	Total
	-0.756	1.697	0.296	1.881
CHELPG
AIM
ESP

	x	y	z
x	3.751	-0.069	-0.098
y	-0.069	4.149	0.024
z	-0.098	0.024	3.397

<r²>	81.445
(<r²>)^1/2	9.025

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

using model chemistry: B3PW91/6-31G

States and conformations

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