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	hartrees
Energy at 0K	-253.302358
Energy at 298.15K
HF Energy	-252.894812
Nuclear repulsion energy	126.345142

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	3657	3522	19.25	60.22	0.28	0.43
2	A	3193	3075	31.02	40.95	0.75	0.86
3	A	3158	3041	28.89	66.75	0.44	0.61
4	A	3102	2988	33.44	117.95	0.10	0.18
5	A	3062	2949	44.41	101.90	0.11	0.20
6	A	1527	1471	2.65	2.95	0.75	0.86
7	A	1522	1466	5.01	11.33	0.75	0.86
8	A	1432	1379	16.70	2.74	0.74	0.85
9	A	1420	1367	7.28	2.06	0.72	0.84
10	A	1371	1320	11.96	15.42	0.75	0.86
11	A	1233	1188	19.54	9.23	0.65	0.79
12	A	1199	1155	7.75	9.70	0.75	0.86
13	A	1121	1080	8.39	3.80	0.37	0.54
14	A	1059	1020	51.21	7.58	0.63	0.78
15	A	989	953	45.01	2.42	0.57	0.72
16	A	870	838	27.21	10.64	0.38	0.55
17	A	826	795	45.65	10.96	0.17	0.29
18	A	494	476	9.71	2.25	0.75	0.86
19	A	406	391	203.92	5.27	0.73	0.85
20	A	313	302	17.06	0.47	0.45	0.62
21	A	141	135	16.67	0.13	0.72	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.682	0.593	0.321
C2	-0.715	0.596	-0.316
O3	1.513	-0.518	-0.198
F4	-1.425	-0.624	0.165
H5	1.230	1.505	0.039
H6	0.596	0.537	1.421
H7	-1.327	1.453	0.004
H8	-0.670	0.508	-1.410
H9	1.086	-1.381	0.013

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5353	1.4817	2.4384	1.1003	1.1051	2.2089	2.1985	2.0384
C2	1.5353		2.4941	1.4915	2.1758	2.1765	1.1005	1.0989	2.6948
O3	1.4817	2.4941		2.9623	2.0564	2.1395	3.4636	2.7000	0.9854
F4	2.4384	1.4915	2.9623		3.4054	2.6471	2.0857	2.0814	2.6272
H5	1.1003	2.1758	2.0564	3.4054		1.8027	2.5584	2.5895	2.8893
H6	1.1051	2.1765	2.1395	2.6471	1.8027		2.5589	3.1015	2.4292
H7	2.2089	1.1005	3.4636	2.0857	2.5584	2.5589		1.8229	3.7226
H8	2.1985	1.0989	2.7000	2.0814	2.5895	3.1015	1.8229		2.9461
H9	2.0384	2.6948	0.9854	2.6272	2.8893	2.4292	3.7226	2.9461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.326	C1	C2	H7	112.828
C1	C2	H8	112.079	C1	O3	H9	109.790
C2	C1	O3	111.508	C2	C1	H5	110.199
C2	C1	H6	109.971	O3	C1	H5	104.621
O3	C1	H6	110.766

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

using model chemistry: MP2/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: MP2/LANL2DZ

States and conformations

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