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	hartrees
Energy at 0K	-253.931303
Energy at 298.15K	-253.925699
HF Energy	-252.918518
Nuclear repulsion energy	132.189532

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	4104	4104	48.18	54.68	0.31	0.47
2	A	3301	3301	58.59	50.99	0.73	0.84
3	A	3274	3274	47.73	83.67	0.33	0.50
4	A	3238	3238	29.08	103.02	0.19	0.31
5	A	3187	3187	55.56	97.94	0.22	0.37
6	A	1650	1650	1.75	4.51	0.75	0.86
7	A	1639	1639	1.68	12.49	0.75	0.86
8	A	1584	1584	41.74	2.65	0.42	0.60
9	A	1544	1544	36.41	2.73	0.75	0.85
10	A	1512	1512	10.08	10.01	0.75	0.86
11	A	1387	1387	10.82	10.71	0.70	0.83
12	A	1325	1325	26.90	5.58	0.72	0.83
13	A	1241	1241	35.17	4.27	0.48	0.65
14	A	1207	1207	82.86	4.26	0.73	0.84
15	A	1161	1161	81.54	2.22	0.74	0.85
16	A	972	972	14.11	6.26	0.34	0.51
17	A	940	940	44.07	5.73	0.33	0.50
18	A	560	560	13.58	1.05	0.74	0.85
19	A	428	428	163.31	2.82	0.74	0.85
20	A	334	334	27.69	0.43	0.60	0.75
21	A	168	168	12.98	0.04	0.46	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	0.577	0.275
C2	-0.725	0.555	-0.272
O3	1.429	-0.508	-0.191
F4	-1.333	-0.603	0.157
H5	1.193	1.477	-0.056
H6	0.648	0.590	1.365
H7	-1.311	1.396	0.086
H8	-0.723	0.541	-1.356
H9	0.999	-1.309	0.062

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5122	1.3954	2.3400	1.0854	1.0909	2.1650	2.1549	1.9232
C2	1.5122		2.4029	1.3762	2.1387	2.1371	1.0855	1.0844	2.5604
O3	1.3954	2.4029		2.7851	2.0034	2.0582	3.3472	2.6622	0.9436
F4	2.3400	1.3762	2.7851		3.2786	2.6091	1.9998	1.9926	2.4380
H5	1.0854	2.1387	2.0034	3.2786		1.7614	2.5086	2.4972	2.7949
H6	1.0909	2.1371	2.0582	2.6091	1.7614		2.4743	3.0478	2.3294
H7	2.1650	1.0855	3.3472	1.9998	2.5086	2.4743		1.7767	3.5563
H8	2.1549	1.0844	2.6622	1.9926	2.4972	3.0478	1.7767		2.8978
H9	1.9232	2.5604	0.9436	2.4380	2.7949	2.3294	3.5563	2.8978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.130	C1	C2	H7	111.864
C1	C2	H8	111.106	C1	O3	H9	109.092
C2	C1	O3	111.409	C2	C1	H5	109.751
C2	C1	H6	109.305	O3	C1	H5	107.053
O3	C1	H6	111.165

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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