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	hartrees
Energy at 0K	-252.780231
Energy at 298.15K
HF Energy	-252.780231
Nuclear repulsion energy	130.495251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3496	3361	7.18
2	A	3139	3018	35.50
3	A	3132	3011	28.31
4	A	3077	2957	27.58
5	A	3017	2900	46.69
6	A	1561	1500	2.71
7	A	1556	1495	2.07
8	A	1441	1385	16.95
9	A	1431	1375	34.69
10	A	1415	1360	7.35
11	A	1272	1222	10.57
12	A	1248	1200	16.66
13	A	1135	1091	1.75
14	A	1067	1026	47.24
15	A	1030	990	44.96
16	A	904	869	11.36
17	A	882	847	29.05
18	A	527	506	90.14
19	A	502	483	88.68
20	A	305	293	2.08
21	A	167	161	16.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	0.621	0.273
C2	-0.717	0.608	-0.274
O3	1.385	-0.574	-0.183
F4	-1.290	-0.633	0.163
H5	1.253	1.482	-0.111
H6	0.659	0.686	1.371
H7	-1.318	1.443	0.100
H8	-0.696	0.614	-1.368
H9	0.739	-1.307	0.008

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5182	1.4514	2.3546	1.0925	1.1010	2.1848	2.1544	1.9472
C2	1.5182		2.4127	1.4352	2.1607	2.1462	1.0944	1.0942	2.4218
O3	1.4514	2.4127		2.6975	2.0614	2.1287	3.3837	2.6732	0.9957
F4	2.3546	1.4352	2.6975		3.3185	2.6457	2.0772	2.0621	2.1432
H5	1.0925	2.1607	2.0614	3.3185		1.7838	2.5791	2.4763	2.8385
H6	1.1010	2.1462	2.1287	2.6457	1.7838		2.4690	3.0572	2.4166
H7	2.1848	1.0944	3.3837	2.0772	2.5791	2.4690		1.7964	3.4349
H8	2.1544	1.0942	2.6732	2.0621	2.4763	3.0572	1.7964		2.7646
H9	1.9472	2.4218	0.9957	2.1432	2.8385	2.4166	3.4349	2.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	105.696	C1	C2	H7	112.474
C1	C2	H8	110.046	C1	O3	H9	103.887
C2	C1	O3	108.649	C2	C1	H5	110.653
C2	C1	H6	109.005	O3	C1	H5	107.417
O3	C1	H6	112.296

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

using model chemistry: B3PW91/3-21G

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	-0.219
2	C	-0.147
3	O	-0.561
4	F	-0.302
5	H	0.230
6	H	0.209
7	H	0.210
8	H	0.228
9	H	0.351

	x	y	z	Total
	-1.012	1.654	0.168	1.946
CHELPG
AIM
ESP

	x	y	z
x	3.574	-0.064	-0.059
y	-0.064	3.954	0.055
z	-0.059	0.055	3.231

<r²>	78.994
(<r²>)^1/2	8.888

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

using model chemistry: B3PW91/3-21G

States and conformations

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