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	hartrees
Energy at 0K	-54.462342
Energy at 298.15K
HF Energy	-54.462342
Nuclear repulsion energy	75.774920

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	3881	3881	24.92	54.50	0.27	0.43
2	A	3164	3164	64.39	51.83	0.74	0.85
3	A	3140	3140	58.09	95.37	0.33	0.50
4	A	3100	3100	43.79	125.92	0.13	0.23
5	A	3057	3057	69.09	119.60	0.16	0.28
6	A	1511	1511	2.57	2.57	0.66	0.79
7	A	1502	1502	6.78	11.39	0.75	0.86
8	A	1456	1456	35.95	3.07	0.54	0.70
9	A	1415	1415	29.30	5.71	0.74	0.85
10	A	1386	1386	1.79	10.58	0.75	0.86
11	A	1270	1270	10.97	10.37	0.70	0.82
12	A	1226	1226	19.09	7.54	0.74	0.85
13	A	1144	1144	43.23	5.75	0.28	0.43
14	A	1112	1112	58.50	4.77	0.74	0.85
15	A	1065	1065	80.88	3.17	0.67	0.80
16	A	903	903	10.71	7.24	0.35	0.52
17	A	868	868	34.50	5.55	0.36	0.53
18	A	509	509	9.61	1.50	0.74	0.85
19	A	399	399	139.53	3.20	0.73	0.84
20	A	314	314	23.47	0.59	0.52	0.68
21	A	149	149	12.01	0.06	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.575	0.292
C2	-0.726	0.559	-0.289
O3	1.478	-0.509	-0.193
F4	-1.382	-0.602	0.161
H5	1.197	1.500	-0.026
H6	0.634	0.570	1.396
H7	-1.312	1.428	0.050
H8	-0.703	0.516	-1.389
H9	1.012	-1.324	0.047

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5317	1.4250	2.3878	1.1009	1.1059	2.1902	2.1842	1.9421
C2	1.5317		2.4514	1.4076	2.1572	2.1658	1.1020	1.1005	2.5845
O3	1.4250	2.4514		2.8839	2.0357	2.0984	3.4055	2.6908	0.9693
F4	2.3878	1.4076	2.8839		3.3326	2.6391	2.0349	2.0286	2.5032
H5	1.1009	2.1572	2.0357	3.3326		1.7898	2.5108	2.5367	2.8315
H6	1.1059	2.1658	2.0984	2.6391	1.7898		2.5167	3.0897	2.3568
H7	2.1902	1.1020	3.4055	2.0349	2.5108	2.5167		1.8091	3.6023
H8	2.1842	1.1005	2.6908	2.0286	2.5367	3.0897	1.8091		2.8964
H9	1.9421	2.5845	0.9693	2.5032	2.8315	2.3568	3.6023	2.8964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.584	C1	C2	H7	111.484
C1	C2	H8	111.098	C1	O3	H9	106.865
C2	C1	O3	111.960	C2	C1	H5	108.954
C2	C1	H6	109.334	O3	C1	H5	106.695
O3	C1	H6	111.388

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

using model chemistry: wB97X-D/CEP-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	-0.147
2	C	-0.136
3	O	-0.467
4	F	-0.248
5	H	0.156
6	H	0.141
7	H	0.154
8	H	0.165
9	H	0.383

	x	y	z	Total
	-0.599	1.497	0.282	1.637
CHELPG
AIM
ESP

	x	y	z
x	3.981	-0.032	0.002
y	-0.032	4.039	0.021
z	0.002	0.021	3.476

<r²>	68.973
(<r²>)^1/2	8.305

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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