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	hartrees
Energy at 0K	-254.311533
Energy at 298.15K
HF Energy	-254.311533
Nuclear repulsion energy	130.946208

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	3908	3733	42.52	52.39	0.20	0.33
2	A	3126	2986	31.74	47.88	0.74	0.85
3	A	3108	2969	26.50	86.84	0.33	0.49
4	A	3064	2927	24.29	121.59	0.11	0.19
5	A	3025	2890	39.66	127.68	0.15	0.26
6	A	1503	1436	3.61	2.85	0.74	0.85
7	A	1499	1432	5.18	7.54	0.74	0.85
8	A	1443	1378	26.58	2.93	0.31	0.48
9	A	1413	1349	20.58	2.25	0.75	0.86
10	A	1394	1332	2.29	5.11	0.74	0.85
11	A	1282	1225	10.43	6.10	0.69	0.82
12	A	1238	1182	13.12	3.78	0.74	0.85
13	A	1148	1096	44.99	3.07	0.37	0.54
14	A	1117	1067	58.82	1.74	0.64	0.78
15	A	1070	1022	81.92	2.48	0.63	0.77
16	A	910	870	13.60	4.39	0.33	0.50
17	A	872	833	32.51	4.29	0.33	0.50
18	A	524	501	10.80	0.85	0.73	0.85
19	A	380	363	93.21	1.20	0.69	0.82
20	A	316	302	40.31	0.42	0.59	0.74
21	A	153	146	10.61	0.06	0.64	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.565	0.286
C2	-0.716	0.548	-0.283
O3	1.469	-0.499	-0.189
F4	-1.377	-0.594	0.156
H5	1.172	1.488	-0.022
H6	0.624	0.563	1.381
H7	-1.288	1.417	0.051
H8	-0.693	0.513	-1.374
H9	1.039	-1.320	0.051

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5076	1.4069	2.3642	1.0911	1.0963	2.1567	2.1544	1.9328
C2	1.5076		2.4246	1.3911	2.1256	2.1367	1.0919	1.0912	2.5849
O3	1.4069	2.4246		2.8681	2.0160	2.0752	3.3651	2.6645	0.9575
F4	2.3642	1.3911	2.8681		3.2965	2.6156	2.0158	2.0088	2.5246
H5	1.0911	2.1256	2.0160	3.2965		1.7678	2.4619	2.5014	2.8122
H6	1.0963	2.1367	2.0752	2.6156	1.7678		2.4805	3.0536	2.3420
H7	2.1567	1.0919	3.3651	2.0158	2.4619	2.4805		1.7884	3.5919
H8	2.1544	1.0912	2.6645	2.0088	2.5014	3.0536	1.7884		2.8965
H9	1.9328	2.5849	0.9575	2.5246	2.8122	2.3420	3.5919	2.8965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.231	C1	C2	H7	111.123
C1	C2	H8	110.978	C1	O3	H9	108.154
C2	C1	O3	112.546	C2	C1	H5	108.703
C2	C1	H6	109.270	O3	C1	H5	106.934
O3	C1	H6	111.388

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.069
2	C	0.079
3	O	-0.346
4	F	-0.259
5	H	0.063
6	H	0.069
7	H	0.064
8	H	0.079
9	H	0.182

	x	y	z	Total
	-0.432	1.257	0.274	1.357
CHELPG
AIM
ESP

	x	y	z
x	4.677	-0.091	0.024
y	-0.091	4.723	0.023
z	0.024	0.023	4.291

<r²>	81.132
(<r²>)^1/2	9.007

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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