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	hartrees
Energy at 0K	-254.188887
Energy at 298.15K
HF Energy	-254.188887
Nuclear repulsion energy	128.352261

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	3780	3780	18.12	64.32	0.27	0.43
2	A	3210	3210	35.47	44.74	0.75	0.86
3	A	3182	3182	32.72	78.27	0.36	0.53
4	A	3128	3128	31.29	122.98	0.11	0.19
5	A	3085	3085	50.51	112.89	0.12	0.22
6	A	1522	1522	4.39	5.78	0.73	0.85
7	A	1519	1519	10.70	8.86	0.75	0.86
8	A	1445	1445	16.04	3.70	0.74	0.85
9	A	1428	1428	4.77	2.38	0.75	0.86
10	A	1384	1384	10.57	15.76	0.75	0.86
11	A	1255	1255	21.25	9.26	0.67	0.80
12	A	1227	1227	12.24	8.77	0.75	0.86
13	A	1135	1135	0.48	3.47	0.23	0.37
14	A	1108	1108	79.90	6.68	0.62	0.76
15	A	1026	1026	65.90	2.48	0.61	0.76
16	A	909	909	17.35	9.01	0.38	0.55
17	A	858	858	41.93	7.97	0.23	0.37
18	A	507	507	9.79	1.89	0.75	0.86
19	A	413	413	205.24	4.91	0.73	0.84
20	A	321	321	19.21	0.48	0.45	0.62
21	A	141	141	16.45	0.09	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.576	0.311
C2	-0.708	0.578	-0.308
O3	1.492	-0.507	-0.193
F4	-1.409	-0.608	0.163
H5	1.205	1.493	0.035
H6	0.595	0.532	1.405
H7	-1.300	1.442	0.003
H8	-0.661	0.500	-1.396
H9	1.073	-1.363	0.007

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5189	1.4455	2.4050	1.0921	1.0980	2.1819	2.1719	2.0028
C2	1.5189		2.4555	1.4557	2.1481	2.1524	1.0931	1.0924	2.6532
O3	1.4455	2.4555		2.9244	2.0329	2.1075	3.4108	2.6637	0.9743
F4	2.4050	1.4557	2.9244		3.3559	2.6187	2.0596	2.0540	2.5990
H5	1.0921	2.1481	2.0329	3.3559		1.7812	2.5057	2.5525	2.8592
H6	1.0980	2.1524	2.1075	2.6187	1.7812		2.5263	3.0701	2.4039
H7	2.1819	1.0931	3.4108	2.0596	2.5057	2.5263		1.8044	3.6748
H8	2.1719	1.0924	2.6637	2.0540	2.5525	3.0701	1.8044		2.9065
H9	2.0028	2.6532	0.9743	2.5990	2.8592	2.4039	3.6748	2.9065

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

using model chemistry: wB97X-D/LANL2DZ

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: wB97X-D/LANL2DZ

States and conformations

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