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	hartrees
Energy at 0K	-254.212355
Energy at 298.15K
HF Energy	-253.925575
Nuclear repulsion energy	131.081936

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	3834	3664	39.10	52.86	0.21	0.34
2	A	3132	2994	34.49	48.42	0.73	0.85
3	A	3111	2973	29.58	89.94	0.30	0.46
4	A	3075	2939	25.39	117.85	0.12	0.22
5	A	3033	2899	40.82	125.95	0.16	0.28
6	A	1517	1450	3.36	3.73	0.75	0.86
7	A	1510	1444	3.03	7.43	0.74	0.85
8	A	1443	1380	25.18	3.10	0.27	0.43
9	A	1420	1357	18.94	1.51	0.75	0.86
10	A	1397	1335	4.90	6.13	0.75	0.85
11	A	1283	1227	9.05	6.18	0.68	0.81
12	A	1236	1181	15.86	3.86	0.75	0.86
13	A	1140	1090	6.07	2.22	0.29	0.45
14	A	1112	1062	87.17	3.10	0.75	0.86
15	A	1060	1013	68.21	2.09	0.65	0.79
16	A	905	865	16.50	4.97	0.30	0.46
17	A	872	834	34.46	4.16	0.35	0.52
18	A	522	499	10.15	0.94	0.73	0.85
19	A	390	373	102.51	1.83	0.74	0.85
20	A	317	303	25.48	0.47	0.58	0.73
21	A	153	146	11.36	0.06	0.44	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.576	0.284
C2	-0.715	0.558	-0.282
O3	1.454	-0.510	-0.187
F4	-1.359	-0.601	0.157
H5	1.183	1.485	-0.038
H6	0.626	0.584	1.376
H7	-1.294	1.414	0.059
H8	-0.694	0.527	-1.369
H9	0.985	-1.317	0.045

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5046	1.4150	2.3570	1.0882	1.0930	2.1560	2.1494	1.9318
C2	1.5046		2.4198	1.3968	2.1264	2.1323	1.0887	1.0876	2.5515
O3	1.4150	2.4198		2.8358	2.0193	2.0797	3.3644	2.6624	0.9614
F4	2.3570	1.3968	2.8358		3.2943	2.6133	2.0190	2.0112	2.4534
H5	1.0882	2.1264	2.0193	3.2943		1.7661	2.4801	2.4927	2.8100
H6	1.0930	2.1323	2.0797	2.6133	1.7661		2.4723	3.0461	2.3477
H7	2.1560	1.0887	3.3644	2.0190	2.4801	2.4723		1.7848	3.5572
H8	2.1494	1.0876	2.6624	2.0112	2.4927	3.0461	1.7848		2.8666
H9	1.9318	2.5515	0.9614	2.4534	2.8100	2.3477	3.5572	2.8666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.596	C1	C2	H7	111.471
C1	C2	H8	111.000	C1	O3	H9	107.220
C2	C1	O3	111.917	C2	C1	H5	109.139
C2	C1	H6	109.317	O3	C1	H5	106.825
O3	C1	H6	111.391

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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