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	hartrees
Energy at 0K	-249.580131
Energy at 298.15K
HF Energy	-249.580131
Nuclear repulsion energy	129.085990

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	4226	3451	17.37	38.42	0.29	0.45
2	A	3690	3013	2.91	31.59	0.68	0.81
3	A	3665	2993	3.76	33.37	0.74	0.85
4	A	3564	2910	6.18	43.30	0.17	0.28
5	A	3551	2899	3.34	34.87	0.19	0.32
6	A	1809	1477	0.82	4.91	0.71	0.83
7	A	1801	1471	0.30	17.83	0.75	0.86
8	A	1738	1419	23.74	7.63	0.74	0.85
9	A	1680	1372	10.67	6.89	0.64	0.78
10	A	1655	1351	10.24	4.68	0.67	0.81
11	A	1453	1186	9.46	12.11	0.74	0.85
12	A	1424	1163	12.52	7.79	0.75	0.85
13	A	1363	1113	5.37	8.19	0.58	0.74
14	A	1304	1064	2.18	2.75	0.49	0.66
15	A	1239	1011	10.22	2.87	0.48	0.65
16	A	1036	846	1.69	8.29	0.26	0.41
17	A	1011	826	6.31	3.97	0.57	0.73
18	A	558	456	3.26	1.86	0.74	0.85
19	A	406	331	75.87	4.60	0.75	0.86
20	A	293	239	23.18	1.56	0.69	0.82
21	A	100	82	5.12	0.09	0.63	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.708	0.581	0.280
C2	-0.749	0.549	-0.271
O3	1.494	-0.519	-0.194
F4	-1.393	-0.603	0.153
H5	1.193	1.500	-0.060
H6	0.671	0.605	1.376
H7	-1.293	1.435	0.080
H8	-0.725	0.575	-1.369
H9	0.980	-1.315	0.096

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5579	1.4328	2.4152	1.0931	1.0971	2.1852	2.1851	1.9246
C2	1.5579		2.4850	1.3867	2.1727	2.1757	1.0982	1.0982	2.5687
O3	1.4328	2.4850		2.9091	2.0454	2.0993	3.4152	2.7390	0.9913
F4	2.4152	1.3867	2.9091		3.3403	2.6863	2.0425	2.0374	2.4784
H5	1.0931	2.1727	2.0454	3.3403		1.7707	2.4914	2.5005	2.8274
H6	1.0971	2.1757	2.0993	2.6863	1.7707		2.4960	3.0803	2.3285
H7	2.1852	1.0982	3.4152	2.0425	2.4914	2.4960		1.7781	3.5686
H8	2.1851	1.0982	2.7390	2.0374	2.5005	3.0803	1.7781		2.9374
H9	1.9246	2.5687	0.9913	2.4784	2.8274	2.3285	3.5686	2.9374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	110.083	C1	C2	H7	109.499
C1	C2	H8	109.489	C1	O3	H9	103.615
C2	C1	O3	112.320	C2	C1	H5	108.823
C2	C1	H6	108.828	O3	C1	H5	107.381
O3	C1	H6	111.468

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

using model chemistry: HF/STO-3G

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	-0.006
2	C	0.016
3	O	-0.284
4	F	-0.157
5	H	0.070
6	H	0.056
7	H	0.062
8	H	0.065
9	H	0.180

	x	y	z	Total
	-0.708	0.834	0.397	1.164
CHELPG
AIM
ESP

	x	y	z
x	1.912	0.050	-0.098
y	0.050	2.530	-0.067
z	-0.098	-0.067	1.715

<r²>	82.043
(<r²>)^1/2	9.058

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

using model chemistry: HF/STO-3G

States and conformations

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