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	hartrees
Energy at 0K	-254.230145
Energy at 298.15K
HF Energy	-253.939281
Nuclear repulsion energy	130.860871

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	3838	3838	41.80	54.60	0.19	0.32
2	A	3137	3137	31.00	47.97	0.74	0.85
3	A	3113	3113	27.10	86.37	0.32	0.49
4	A	3076	3076	24.08	121.08	0.11	0.20
5	A	3035	3035	38.98	127.17	0.14	0.25
6	A	1512	1512	3.28	3.26	0.75	0.85
7	A	1505	1505	3.49	7.18	0.74	0.85
8	A	1442	1442	23.71	3.01	0.29	0.45
9	A	1417	1417	19.17	1.44	0.75	0.86
10	A	1394	1394	4.18	6.04	0.74	0.85
11	A	1281	1281	8.99	6.13	0.68	0.81
12	A	1233	1233	15.17	3.72	0.74	0.85
13	A	1136	1136	6.45	2.51	0.23	0.38
14	A	1108	1108	87.81	2.89	0.75	0.86
15	A	1053	1053	71.65	2.49	0.64	0.78
16	A	904	904	16.90	4.92	0.31	0.48
17	A	868	868	35.98	4.40	0.32	0.48
18	A	520	520	10.60	0.91	0.74	0.85
19	A	384	384	99.75	1.31	0.71	0.83
20	A	316	316	30.04	0.39	0.57	0.72
21	A	151	151	11.21	0.06	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.573	0.286
C2	-0.715	0.557	-0.284
O3	1.461	-0.507	-0.188
F4	-1.367	-0.601	0.157
H5	1.181	1.487	-0.029
H6	0.625	0.574	1.378
H7	-1.294	1.415	0.056
H8	-0.695	0.523	-1.371
H9	1.007	-1.320	0.047

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5055	1.4157	2.3621	1.0886	1.0933	2.1566	2.1527	1.9363
C2	1.5055		2.4240	1.3997	2.1266	2.1340	1.0889	1.0879	2.5684
O3	1.4157	2.4240		2.8507	2.0194	2.0788	3.3677	2.6659	0.9608
F4	2.3621	1.3997	2.8507		3.2988	2.6146	2.0189	2.0115	2.4829
H5	1.0886	2.1266	2.0194	3.2988		1.7666	2.4771	2.4997	2.8130
H6	1.0933	2.1340	2.0788	2.6146	1.7666		2.4765	3.0492	2.3460
H7	2.1566	1.0889	3.3677	2.0189	2.4771	2.4765		1.7858	3.5736
H8	2.1527	1.0879	2.6659	2.0115	2.4997	3.0492	1.7858		2.8815
H9	1.9363	2.5684	0.9608	2.4829	2.8130	2.3460	3.5736	2.8815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.739	C1	C2	H7	111.450
C1	C2	H8	111.192	C1	O3	H9	107.589
C2	C1	O3	112.124	C2	C1	H5	109.068
C2	C1	H6	109.381	O3	C1	H5	106.757
O3	C1	H6	111.257

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

using model chemistry: B2PLYP=FULL/Def2TZVPP

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

using model chemistry: B2PLYP=FULL/Def2TZVPP

States and conformations

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