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	hartrees
Energy at 0K	-254.009423
Energy at 298.15K
HF Energy	-254.009423
Nuclear repulsion energy	129.372074

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	3704	3662	32.01	58.22	0.17	0.29
2	A	3052	3017	30.28	61.35	0.74	0.85
3	A	3029	2995	23.88	98.73	0.37	0.54
4	A	2986	2951	28.03	138.48	0.12	0.21
5	A	2939	2906	45.08	141.42	0.16	0.28
6	A	1441	1424	3.29	4.41	0.73	0.84
7	A	1437	1420	6.02	10.70	0.75	0.86
8	A	1376	1361	30.53	5.98	0.52	0.68
9	A	1349	1334	15.49	4.69	0.75	0.86
10	A	1329	1314	0.71	4.70	0.72	0.84
11	A	1216	1202	8.48	7.62	0.72	0.84
12	A	1179	1166	10.14	4.64	0.70	0.82
13	A	1088	1076	17.26	2.50	0.25	0.40
14	A	1061	1049	83.84	2.11	0.67	0.80
15	A	1001	990	77.31	3.45	0.54	0.70
16	A	868	858	15.82	5.09	0.42	0.59
17	A	829	820	37.91	4.83	0.41	0.59
18	A	498	492	8.54	0.97	0.73	0.85
19	A	388	384	118.74	0.88	0.75	0.86
20	A	307	303	23.65	0.35	0.41	0.58
21	A	141	139	11.74	0.06	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.572	0.290
C2	-0.717	0.566	-0.286
O3	1.480	-0.510	-0.191
F4	-1.388	-0.605	0.157
H5	1.197	1.499	-0.023
H6	0.629	0.571	1.398
H7	-1.304	1.435	0.061
H8	-0.701	0.528	-1.389
H9	1.017	-1.334	0.052

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5164	1.4263	2.3888	1.1039	1.1094	2.1805	2.1776	1.9493
C2	1.5164		2.4483	1.4210	2.1458	2.1555	1.1045	1.1034	2.5944
O3	1.4263	2.4483		2.8907	2.0361	2.1023	3.4054	2.6958	0.9758
F4	2.3888	1.4210	2.8907		3.3387	2.6443	2.0447	2.0359	2.5151
H5	1.1039	2.1458	2.0361	3.3387		1.7898	2.5033	2.5321	2.8398
H6	1.1094	2.1555	2.1023	2.6443	1.7898		2.5033	3.0877	2.3645
H7	2.1805	1.1045	3.4054	2.0447	2.5033	2.5033		1.8135	3.6129
H8	2.1776	1.1034	2.6958	2.0359	2.5321	3.0877	1.8135		2.9143
H9	1.9493	2.5944	0.9758	2.5151	2.8398	2.3645	3.6129	2.9143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.781	C1	C2	H7	111.636
C1	C2	H8	111.476	C1	O3	H9	106.994
C2	C1	O3	112.578	C2	C1	H5	108.937
C2	C1	H6	109.368	O3	C1	H5	106.474
O3	C1	H6	111.394

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

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.157
2	C	-0.076
3	O	-0.472
4	F	-0.310
5	H	0.169
6	H	0.163
7	H	0.159
8	H	0.174
9	H	0.351

	x	y	z	Total
	-0.488	1.442	0.289	1.549
CHELPG
AIM
ESP

	x	y	z
x	5.051	-0.136	0.053
y	-0.136	4.947	0.063
z	0.053	0.063	4.559

<r²>	82.929
(<r²>)^1/2	9.107

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

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

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