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	hartrees
Energy at 0K	-254.281474
Energy at 298.15K
HF Energy	-254.281474
Nuclear repulsion energy	131.468106

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	3875	3875	53.03	52.60	0.20	0.33
2	A	3141	3141	28.37	44.15	0.75	0.86
3	A	3121	3121	23.53	82.13	0.32	0.48
4	A	3081	3081	20.86	112.89	0.11	0.20
5	A	3043	3043	34.59	125.60	0.14	0.24
6	A	1508	1508	2.93	2.72	0.75	0.86
7	A	1502	1502	4.12	7.19	0.74	0.85
8	A	1444	1444	25.06	2.40	0.27	0.42
9	A	1412	1412	23.45	1.52	0.74	0.85
10	A	1387	1387	4.42	5.92	0.73	0.85
11	A	1283	1283	9.05	5.93	0.68	0.81
12	A	1233	1233	12.85	3.74	0.75	0.85
13	A	1155	1155	57.55	3.57	0.36	0.53
14	A	1126	1126	48.68	2.12	0.65	0.79
15	A	1087	1087	78.82	2.11	0.57	0.73
16	A	914	914	13.39	5.54	0.27	0.42
17	A	882	882	29.37	3.63	0.39	0.56
18	A	525	525	11.36	0.83	0.73	0.84
19	A	393	393	108.27	1.33	0.72	0.84
20	A	320	320	25.09	0.36	0.55	0.71
21	A	155	155	11.07	0.05	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.578	0.281
C2	-0.716	0.557	-0.281
O3	1.442	-0.511	-0.188
F4	-1.346	-0.601	0.159
H5	1.188	1.487	-0.043
H6	0.631	0.585	1.375
H7	-1.302	1.411	0.063
H8	-0.698	0.525	-1.370
H9	0.973	-1.319	0.042

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5061	1.4091	2.3482	1.0902	1.0950	2.1615	2.1525	1.9338
C2	1.5061		2.4097	1.3898	2.1324	2.1351	1.0908	1.0903	2.5450
O3	1.4091	2.4097		2.8105	2.0194	2.0741	3.3591	2.6558	0.9611
F4	2.3482	1.3898	2.8105		3.2897	2.6071	2.0149	2.0066	2.4305
H5	1.0902	2.1324	2.0194	3.2897		1.7707	2.4932	2.4989	2.8149
H6	1.0950	2.1351	2.0741	2.6071	1.7707		2.4778	3.0512	2.3491
H7	2.1615	1.0908	3.3591	2.0149	2.4932	2.4778		1.7897	3.5533
H8	2.1525	1.0903	2.6558	2.0066	2.4989	3.0512	1.7897		2.8618
H9	1.9338	2.5450	0.9611	2.4305	2.8149	2.3491	3.5533	2.8618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.295	C1	C2	H7	111.682
C1	C2	H8	110.987	C1	O3	H9	107.859
C2	C1	O3	111.465	C2	C1	H5	109.391
C2	C1	H6	109.316	O3	C1	H5	107.112
O3	C1	H6	111.224

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

using model chemistry: M06-2X/Def2TZVPP

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	-0.021
2	C	0.004
3	O	-0.378
4	F	-0.250
5	H	0.099
6	H	0.105
7	H	0.098
8	H	0.115
9	H	0.226

	x	y	z	Total
	-0.520	1.368	0.252	1.485
CHELPG
AIM
ESP

	x	y	z
x	4.641	-0.088	0.030
y	-0.088	4.702	0.027
z	0.030	0.027	4.251

<r²>	80.113
(<r²>)^1/2	8.951

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

using model chemistry: M06-2X/Def2TZVPP

States and conformations

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