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	hartrees
Energy at 0K	-254.130692
Energy at 298.15K
HF Energy	-254.130692
Nuclear repulsion energy	127.973224

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	3448	3422	4.19	66.70	0.25	0.40
2	A	3061	3038	46.17	57.71	0.70	0.83
3	A	3045	3022	25.29	97.52	0.36	0.53
4	A	2994	2971	30.69	119.54	0.15	0.26
5	A	2942	2920	50.03	118.76	0.22	0.36
6	A	1498	1487	2.92	15.47	0.75	0.85
7	A	1496	1484	0.73	10.09	0.68	0.81
8	A	1392	1381	27.52	6.25	0.69	0.81
9	A	1379	1369	8.31	7.71	0.75	0.86
10	A	1355	1344	10.33	17.20	0.75	0.86
11	A	1212	1202	17.24	10.72	0.73	0.84
12	A	1184	1175	9.53	13.73	0.74	0.85
13	A	1094	1086	4.00	3.56	0.55	0.71
14	A	1011	1003	49.00	4.71	0.73	0.85
15	A	966	958	30.76	1.69	0.48	0.65
16	A	851	845	28.99	7.74	0.38	0.56
17	A	821	815	40.61	6.08	0.32	0.49
18	A	496	492	7.98	2.39	0.75	0.86
19	A	453	449	170.71	6.31	0.74	0.85
20	A	305	303	6.62	0.29	0.67	0.80
21	A	151	150	14.79	0.07	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.692	0.610	0.292
C2	-0.716	0.610	-0.289
O3	1.453	-0.551	-0.190
F4	-1.361	-0.635	0.162
H5	1.250	1.497	-0.044
H6	0.639	0.625	1.398
H7	-1.327	1.453	0.071
H8	-0.701	0.583	-1.390
H9	0.904	-1.353	0.014

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5232	1.4688	2.4042	1.1007	1.1077	2.1995	2.1835	1.9934
C2	1.5232		2.4622	1.4729	2.1705	2.1640	1.1022	1.1009	2.5631
O3	1.4688	2.4622		2.8371	2.0628	2.1370	3.4373	2.7140	0.9935
F4	2.4042	1.4729	2.8371		3.3768	2.6673	2.0907	2.0805	2.3803
H5	1.1007	2.1705	2.0628	3.3768		1.7929	2.5799	2.5392	2.8714
H6	1.1077	2.1640	2.1370	2.6673	1.7929		2.5122	3.0931	2.4287
H7	2.1995	1.1022	3.4373	2.0907	2.5799	2.5122		1.8122	3.5856
H8	2.1835	1.1009	2.7140	2.0805	2.5392	3.0931	1.8122		2.8802
H9	1.9934	2.5631	0.9935	2.3803	2.8714	2.4287	3.5856	2.8802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	106.714	C1	C2	H7	112.827
C1	C2	H8	111.612	C1	O3	H9	106.507
C2	C1	O3	110.746	C2	C1	H5	110.589
C2	C1	H6	109.665	O3	C1	H5	105.904
O3	C1	H6	111.307

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

using model chemistry: BLYP/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	-0.039
2	C	0.028
3	O	-0.554
4	F	-0.323
5	H	0.143
6	H	0.130
7	H	0.127
8	H	0.145
9	H	0.344

	x	y	z	Total
	-0.782	1.644	0.242	1.837
CHELPG
AIM
ESP

	x	y	z
x	4.034	-0.099	-0.097
y	-0.099	4.400	0.034
z	-0.097	0.034	3.511

<r²>	82.814
(<r²>)^1/2	9.100

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

using model chemistry: BLYP/6-31G

States and conformations

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