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	hartrees
Energy at 0K	-253.004314
Energy at 298.15K
HF Energy	-253.004314
Nuclear repulsion energy	132.153881

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	4166	3785	64.74	45.66	0.28	0.44
2	A	3274	2974	54.20	49.78	0.74	0.85
3	A	3240	2944	56.83	91.55	0.23	0.38
4	A	3214	2920	23.19	105.34	0.21	0.35
5	A	3163	2873	54.58	109.82	0.20	0.33
6	A	1630	1481	1.63	2.09	0.70	0.82
7	A	1625	1476	5.19	10.49	0.75	0.86
8	A	1580	1436	37.79	2.35	0.21	0.35
9	A	1536	1395	31.06	2.07	0.72	0.83
10	A	1504	1366	8.64	7.97	0.75	0.86
11	A	1384	1258	12.30	8.11	0.69	0.82
12	A	1323	1202	23.98	4.48	0.73	0.84
13	A	1238	1124	38.48	4.15	0.51	0.68
14	A	1207	1097	77.87	3.10	0.72	0.84
15	A	1159	1053	82.60	2.46	0.75	0.85
16	A	974	885	18.65	5.19	0.34	0.51
17	A	938	852	45.72	5.53	0.29	0.45
18	A	561	510	14.47	0.92	0.74	0.85
19	A	429	390	137.50	2.05	0.74	0.85
20	A	338	307	26.20	0.39	0.55	0.71
21	A	170	155	11.94	0.04	0.38	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.571	0.279
C2	-0.720	0.549	-0.277
O3	1.441	-0.503	-0.190
F4	-1.346	-0.597	0.157
H5	1.178	1.479	-0.041
H6	0.636	0.576	1.367
H7	-1.298	1.397	0.069
H8	-0.708	0.523	-1.359
H9	1.013	-1.305	0.056

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5075	1.3960	2.3423	1.0838	1.0886	2.1552	2.1484	1.9177
C2	1.5075		2.4043	1.3760	2.1268	2.1312	1.0834	1.0822	2.5593
O3	1.3960	2.4043		2.8094	2.0045	2.0573	3.3433	2.6525	0.9415
F4	2.3423	1.3760	2.8094		3.2740	2.6013	1.9966	1.9897	2.4648
H5	1.0838	2.1268	2.0045	3.2740		1.7584	2.4803	2.4918	2.7904
H6	1.0886	2.1312	2.0573	2.6013	1.7584		2.4702	3.0398	2.3232
H7	2.1552	1.0834	3.3433	1.9966	2.4803	2.4702		1.7753	3.5557
H8	2.1484	1.0822	2.6525	1.9897	2.4918	3.0398	1.7753		2.8816
H9	1.9177	2.5593	0.9415	2.4648	2.7904	2.3232	3.5557	2.8816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.562	C1	C2	H7	111.532
C1	C2	H8	111.047	C1	O3	H9	108.695
C2	C1	O3	111.751	C2	C1	H5	109.225
C2	C1	H6	109.297	O3	C1	H5	107.194
O3	C1	H6	111.188

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

using model chemistry: HF/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	0.064
2	C	0.192
3	O	-0.470
4	F	-0.368
5	H	0.086
6	H	0.081
7	H	0.077
8	H	0.085
9	H	0.254

	x	y	z	Total
	-0.512	1.489	0.297	1.603
CHELPG
AIM
ESP

	x	y	z
x	3.749	-0.060	0.008
y	-0.060	3.981	0.013
z	0.008	0.013	3.584

<r²>	79.656
(<r²>)^1/2	8.925

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

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

States and conformations

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