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	hartrees
Energy at 0K	-53.444368
Energy at 298.15K
HF Energy	-53.444368
Nuclear repulsion energy	76.711738

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	4129	3730	49.92	51.90	0.29	0.45
2	A	3308	2988	63.30	48.89	0.72	0.84
3	A	3273	2957	63.88	86.33	0.32	0.49
4	A	3241	2928	33.50	121.33	0.16	0.27
5	A	3197	2888	61.59	107.49	0.18	0.31
6	A	1643	1484	2.07	2.66	0.70	0.82
7	A	1632	1475	3.85	10.94	0.75	0.86
8	A	1583	1430	46.99	2.59	0.31	0.47
9	A	1534	1386	42.20	2.46	0.72	0.83
10	A	1500	1355	8.53	8.89	0.75	0.86
11	A	1377	1244	11.56	9.56	0.70	0.82
12	A	1315	1188	26.45	4.52	0.71	0.83
13	A	1231	1112	40.25	5.73	0.47	0.64
14	A	1202	1086	81.50	3.60	0.74	0.85
15	A	1155	1043	94.36	3.00	0.73	0.84
16	A	966	873	17.95	5.75	0.36	0.52
17	A	930	840	47.73	6.71	0.27	0.43
18	A	551	498	16.69	0.81	0.74	0.85
19	A	408	369	138.38	1.78	0.71	0.83
20	A	329	297	39.04	0.45	0.55	0.71
21	A	163	147	12.87	0.04	0.52	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.572	0.285
C2	-0.726	0.551	-0.281
O3	1.460	-0.500	-0.194
F4	-1.363	-0.600	0.157
H5	1.178	1.486	-0.029
H6	0.637	0.566	1.373
H7	-1.306	1.400	0.066
H8	-0.716	0.521	-1.364
H9	1.052	-1.313	0.072

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5188	1.4075	2.3618	1.0851	1.0893	2.1654	2.1630	1.9330
C2	1.5188		2.4263	1.3859	2.1361	2.1435	1.0852	1.0836	2.6001
O3	1.4075	2.4263		2.8462	2.0118	2.0660	3.3648	2.6725	0.9480
F4	2.3618	1.3859	2.8462		3.2925	2.6152	2.0026	1.9973	2.5200
H5	1.0851	2.1361	2.0118	3.2925		1.7622	2.4869	2.5094	2.8034
H6	1.0893	2.1435	2.0660	2.6152	1.7622		2.4859	3.0537	2.3229
H7	2.1654	1.0852	3.3648	2.0026	2.4869	2.4859		1.7790	3.5946
H8	2.1630	1.0836	2.6725	1.9973	2.5094	3.0537	1.7790		2.9246
H9	1.9330	2.6001	0.9480	2.5200	2.8034	2.3229	3.5946	2.9246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.710	C1	C2	H7	111.433
C1	C2	H8	111.336	C1	O3	H9	108.727
C2	C1	O3	111.965	C2	C1	H5	109.098
C2	C1	H6	109.436	O3	C1	H5	106.922
O3	C1	H6	111.034

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

using model chemistry: HF/CEP-121G*

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	-0.061
2	C	0.052
3	O	-0.657
4	F	-0.381
5	H	0.157
6	H	0.145
7	H	0.146
8	H	0.151
9	H	0.448

	x	y	z	Total
	-0.547	1.523	0.372	1.660
CHELPG
AIM
ESP

	x	y	z
x	3.843	-0.064	-0.017
y	-0.064	4.080	0.011
z	-0.017	0.011	3.717

<r²>	68.065
(<r²>)^1/2	8.250

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

using model chemistry: HF/CEP-121G*

States and conformations

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