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	hartrees
Energy at 0K	-254.061625
Energy at 298.15K
HF Energy	-254.061625
Nuclear repulsion energy	128.400337

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	3530	3530	6.90	67.20	0.26	0.41
2	A	3093	3093	49.65	57.55	0.71	0.83
3	A	3077	3077	28.19	98.23	0.39	0.56
4	A	3019	3019	34.38	125.53	0.14	0.25
5	A	2970	2970	52.68	122.20	0.21	0.34
6	A	1511	1511	2.87	13.34	0.74	0.85
7	A	1508	1508	1.27	11.22	0.69	0.82
8	A	1406	1406	25.84	5.98	0.68	0.81
9	A	1396	1396	7.64	6.57	0.75	0.86
10	A	1372	1372	9.99	16.50	0.75	0.86
11	A	1230	1230	16.67	10.89	0.72	0.84
12	A	1203	1203	10.07	12.42	0.75	0.85
13	A	1106	1106	3.01	3.24	0.52	0.69
14	A	1033	1033	55.58	4.85	0.72	0.84
15	A	982	982	37.57	1.56	0.51	0.68
16	A	867	867	27.59	7.44	0.40	0.58
17	A	833	833	42.94	6.25	0.31	0.48
18	A	502	502	9.44	2.14	0.75	0.86
19	A	441	441	176.98	5.80	0.74	0.85
20	A	312	312	9.77	0.31	0.64	0.78
21	A	154	154	14.48	0.05	0.69	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	0.599	0.295
C2	-0.712	0.598	-0.292
O3	1.461	-0.538	-0.190
F4	-1.371	-0.626	0.161
H5	1.234	1.494	-0.026
H6	0.626	0.602	1.398
H7	-1.315	1.449	0.054
H8	-0.686	0.562	-1.389
H9	0.944	-1.351	0.019

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5176	1.4585	2.3990	1.0970	1.1040	2.1884	2.1733	1.9859
C2	1.5176		2.4544	1.4624	2.1588	2.1556	1.0987	1.0973	2.5769
O3	1.4585	2.4544		2.8554	2.0509	2.1256	3.4225	2.6938	0.9854
F4	2.3990	1.4624	2.8554		3.3640	2.6508	2.0786	2.0692	2.4308
H5	1.0970	2.1588	2.0509	3.3640		1.7868	2.5507	2.5322	2.8595
H6	1.1040	2.1556	2.1256	2.6508	1.7868		2.5080	3.0802	2.4116
H7	2.1884	1.0987	3.4225	2.0786	2.5507	2.5080		1.8066	3.5980
H8	2.1733	1.0973	2.6938	2.0692	2.5322	3.0802	1.8066		2.8808
H9	1.9859	2.5769	0.9854	2.4308	2.8595	2.4116	3.5980	2.8808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.213	C1	C2	H7	112.549
C1	C2	H8	111.417	C1	O3	H9	107.107
C2	C1	O3	111.100	C2	C1	H5	110.275
C2	C1	H6	109.610	O3	C1	H5	105.877
O3	C1	H6	111.345

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

using model chemistry: B97D3/6-31G

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	-0.074
2	C	0.008
3	O	-0.584
4	F	-0.344
5	H	0.166
6	H	0.153
7	H	0.148
8	H	0.166
9	H	0.362

	x	y	z	Total
	-0.724	1.643	0.265	1.815
CHELPG
AIM
ESP

	x	y	z
x	3.969	-0.096	-0.097
y	-0.096	4.311	0.031
z	-0.097	0.031	3.493

<r²>	82.621
(<r²>)^1/2	9.090

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

using model chemistry: B97D3/6-31G

States and conformations

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