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	hartrees
Energy at 0K	-254.093635
Energy at 298.15K
HF Energy	-254.093635
Nuclear repulsion energy	131.466804

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	3866	3713	40.22	50.03	0.24	0.39
2	A	3126	3002	39.31	55.98	0.75	0.86
3	A	3104	2981	31.41	91.01	0.32	0.48
4	A	3063	2941	27.35	114.94	0.14	0.24
5	A	3008	2889	48.77	129.93	0.19	0.32
6	A	1494	1435	2.08	1.70	0.75	0.86
7	A	1490	1431	7.03	12.12	0.75	0.85
8	A	1444	1387	40.70	4.58	0.49	0.66
9	A	1414	1358	17.67	5.64	0.72	0.84
10	A	1390	1335	0.32	5.18	0.74	0.85
11	A	1274	1224	9.40	8.87	0.71	0.83
12	A	1236	1187	14.00	5.90	0.75	0.86
13	A	1144	1099	35.48	2.84	0.54	0.70
14	A	1117	1073	68.89	2.16	0.74	0.85
15	A	1069	1027	64.89	2.15	0.69	0.81
16	A	909	873	15.87	5.21	0.35	0.51
17	A	877	842	34.98	3.70	0.46	0.63
18	A	523	502	9.26	1.10	0.74	0.85
19	A	440	423	131.61	2.39	0.74	0.85
20	A	324	311	11.88	0.33	0.59	0.74
21	A	160	153	11.46	0.04	0.31	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	0.577	0.279
C2	-0.713	0.564	-0.279
O3	1.435	-0.519	-0.185
F4	-1.343	-0.602	0.159
H5	1.199	1.485	-0.049
H6	0.633	0.597	1.378
H7	-1.300	1.420	0.067
H8	-0.695	0.534	-1.372
H9	0.929	-1.307	0.031

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5048	1.4073	2.3485	1.0938	1.1002	2.1668	2.1519	1.9155
C2	1.5048		2.4075	1.3956	2.1349	2.1348	1.0943	1.0936	2.5080
O3	1.4073	2.4075		2.8005	2.0226	2.0812	3.3625	2.6565	0.9608
F4	2.3485	1.3956	2.8005		3.2955	2.6129	2.0243	2.0137	2.3820
H5	1.0938	2.1349	2.0226	3.2955		1.7731	2.5030	2.4985	2.8057
H6	1.1002	2.1348	2.0812	2.6129	1.7731		2.4766	3.0543	2.3501
H7	2.1668	1.0943	3.3625	2.0243	2.5030	2.4766		1.7946	3.5219
H8	2.1519	1.0936	2.6565	2.0137	2.4985	3.0543	1.7946		2.8278
H9	1.9155	2.5080	0.9608	2.3820	2.8057	2.3501	3.5219	2.8278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.078	C1	C2	H7	111.991
C1	C2	H8	110.835	C1	O3	H9	106.443
C2	C1	O3	111.483	C2	C1	H5	109.465
C2	C1	H6	109.084	O3	C1	H5	107.272
O3	C1	H6	111.607

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.071
2	C	0.040
3	O	-0.390
4	F	-0.288
5	H	0.121
6	H	0.116
7	H	0.110
8	H	0.119
9	H	0.244

	x	y	z	Total
	-0.564	1.333	0.218	1.464
CHELPG
AIM
ESP

	x	y	z
x	4.190	-0.091	0.048
y	-0.091	4.317	0.039
z	0.048	0.039	3.879

<r²>	79.778
(<r²>)^1/2	8.932

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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