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	hartrees
Energy at 0K	-254.226324
Energy at 298.15K
HF Energy	-254.226324
Nuclear repulsion energy	128.445812

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	3662	3643	28.07	59.93	0.18	0.30
2	A	3040	3024	33.03	61.03	0.73	0.85
3	A	3011	2995	28.80	101.05	0.35	0.52
4	A	2976	2960	28.42	138.93	0.13	0.23
5	A	2932	2917	45.39	135.90	0.17	0.28
6	A	1451	1443	2.36	4.56	0.72	0.84
7	A	1447	1440	4.85	10.72	0.75	0.86
8	A	1378	1371	28.54	5.49	0.52	0.68
9	A	1354	1347	17.48	3.03	0.75	0.86
10	A	1334	1327	1.09	6.49	0.72	0.83
11	A	1214	1208	8.67	7.66	0.72	0.84
12	A	1175	1168	14.28	4.33	0.71	0.83
13	A	1080	1075	0.60	1.92	0.18	0.31
14	A	1032	1027	92.10	3.10	0.60	0.75
15	A	975	970	67.40	3.40	0.54	0.70
16	A	854	850	23.57	5.43	0.44	0.61
17	A	813	809	45.69	6.04	0.34	0.51
18	A	495	492	9.08	1.10	0.74	0.85
19	A	383	381	117.88	0.92	0.75	0.85
20	A	305	303	24.49	0.38	0.39	0.56
21	A	141	140	11.61	0.07	0.70	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	0.574	0.296
C2	-0.720	0.570	-0.291
O3	1.498	-0.509	-0.194
F4	-1.407	-0.608	0.157
H5	1.199	1.502	-0.009
H6	0.627	0.560	1.402
H7	-1.307	1.437	0.054
H8	-0.702	0.524	-1.392
H9	1.054	-1.343	0.056

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5241	1.4395	2.4084	1.1028	1.1075	2.1860	2.1865	1.9670
C2	1.5241		2.4682	1.4354	2.1515	2.1632	1.1031	1.1015	2.6313
O3	1.4395	2.4682		2.9277	2.0416	2.1093	3.4232	2.7101	0.9779
F4	2.4084	1.4354	2.9277		3.3570	2.6552	2.0509	2.0436	2.5695
H5	1.1028	2.1515	2.0416	3.3570		1.7907	2.5072	2.5458	2.8498
H6	1.1075	2.1632	2.1093	2.6552	1.7907		2.5154	3.0938	2.3698
H7	2.1860	1.1031	3.4232	2.0509	2.5072	2.5154		1.8133	3.6474
H8	2.1865	1.1015	2.7101	2.0436	2.5458	3.0938	1.8133		2.9438
H9	1.9670	2.6313	0.9779	2.5695	2.8498	2.3698	3.6474	2.9438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.897	C1	C2	H7	111.618
C1	C2	H8	111.756	C1	O3	H9	107.372
C2	C1	O3	112.746	C2	C1	H5	108.913
C2	C1	H6	109.555	O3	C1	H5	106.087
O3	C1	H6	111.147

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

using model chemistry: BLYP/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	-0.084
2	C	-0.004
3	O	-0.489
4	F	-0.336
5	H	0.143
6	H	0.140
7	H	0.135
8	H	0.151
9	H	0.344

	x	y	z	Total
	-0.442	1.519	0.300	1.611
CHELPG
AIM
ESP

	x	y	z
x	5.111	-0.135	0.042
y	-0.135	5.004	0.056
z	0.042	0.056	4.573

<r²>	84.241
(<r²>)^1/2	9.178

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

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

States and conformations

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