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	hartrees
Energy at 0K	-251.539614
Energy at 298.15K
HF Energy	-251.539614
Nuclear repulsion energy	131.278038

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	3864	3487	27.44	61.98	0.31	0.47
2	A	3323	2999	39.70	47.47	0.74	0.85
3	A	3304	2982	26.64	82.43	0.32	0.49
4	A	3267	2949	21.24	91.13	0.21	0.34
5	A	3215	2902	38.25	95.99	0.24	0.39
6	A	1687	1523	1.62	9.10	0.75	0.86
7	A	1678	1515	0.84	15.17	0.75	0.86
8	A	1563	1410	6.20	1.42	0.75	0.86
9	A	1546	1395	22.46	3.27	0.70	0.83
10	A	1507	1360	31.10	17.28	0.74	0.85
11	A	1377	1243	10.59	12.40	0.71	0.83
12	A	1338	1208	25.60	8.93	0.75	0.85
13	A	1221	1102	2.11	3.09	0.39	0.56
14	A	1157	1044	62.75	8.81	0.70	0.82
15	A	1117	1008	60.07	1.69	0.75	0.86
16	A	969	875	12.99	6.36	0.46	0.63
17	A	933	842	34.54	10.71	0.20	0.34
18	A	547	494	7.74	2.17	0.74	0.85
19	A	476	430	212.70	4.66	0.75	0.86
20	A	326	294	5.00	0.21	0.44	0.61
21	A	165	149	16.87	0.08	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.613	0.281
C2	-0.719	0.590	-0.281
O3	1.397	-0.545	-0.188
F4	-1.300	-0.625	0.164
H5	1.222	1.479	-0.071
H6	0.641	0.637	1.363
H7	-1.318	1.414	0.072
H8	-0.696	0.573	-1.358
H9	0.868	-1.329	0.018

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5133	1.4372	2.3428	1.0778	1.0835	2.1682	2.1436	1.9677
C2	1.5133		2.4033	1.4179	2.1459	2.1343	1.0779	1.0776	2.5079
O3	1.4372	2.4033		2.7213	2.0345	2.0916	3.3581	2.6455	0.9679
F4	2.3428	1.4179	2.7213		3.2929	2.6076	2.0409	2.0289	2.2842
H5	1.0778	2.1459	2.0345	3.2929		1.7610	2.5453	2.4811	2.8312
H6	1.0835	2.1343	2.0916	2.6076	1.7610		2.4716	3.0323	2.3933
H7	2.1682	1.0779	3.3581	2.0409	2.5453	2.4716		1.7715	3.5077
H8	2.1436	1.0776	2.6455	2.0289	2.4811	3.0323	1.7715		2.8203
H9	1.9677	2.5079	0.9679	2.2842	2.8312	2.3933	3.5077	2.8203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	106.075	C1	C2	H7	112.512
C1	C2	H8	110.529	C1	O3	H9	108.206
C2	C1	O3	109.055	C2	C1	H5	110.701
C2	C1	H6	109.435	O3	C1	H5	107.124
O3	C1	H6	111.379

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

using model chemistry: HF/3-21G*

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	-0.129
2	C	-0.035
3	O	-0.678
4	F	-0.413
5	H	0.226
6	H	0.209
7	H	0.205
8	H	0.226
9	H	0.388

	x	y	z	Total
	-0.893	1.959	0.249	2.167
CHELPG
AIM
ESP

	x	y	z
x	3.179	-0.023	-0.072
y	-0.023	3.680	0.022
z	-0.072	0.022	3.039

<r²>	79.047
(<r²>)^1/2	8.891

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

using model chemistry: HF/3-21G*

States and conformations

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