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	hartrees
Energy at 0K	-253.306322
Energy at 298.15K
HF Energy	-252.895147
Nuclear repulsion energy	126.352821

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	3655	3528	19.47	60.28	0.27	0.43
2	A	3191	3080	30.23	41.02	0.75	0.86
3	A	3157	3047	28.31	67.01	0.43	0.60
4	A	3101	2993	33.15	118.26	0.10	0.18
5	A	3061	2954	43.80	102.30	0.11	0.20
6	A	1527	1474	2.66	2.96	0.75	0.86
7	A	1521	1469	5.00	11.33	0.75	0.86
8	A	1432	1382	16.78	2.76	0.74	0.85
9	A	1419	1370	7.27	2.08	0.72	0.84
10	A	1370	1323	11.89	15.41	0.75	0.86
11	A	1233	1190	19.44	9.24	0.65	0.79
12	A	1199	1157	7.61	9.73	0.75	0.86
13	A	1121	1082	8.42	3.83	0.37	0.54
14	A	1059	1022	51.16	7.58	0.64	0.78
15	A	989	955	44.93	2.42	0.56	0.72
16	A	870	840	27.35	10.67	0.38	0.55
17	A	825	797	45.71	10.95	0.17	0.29
18	A	494	477	9.75	2.24	0.75	0.86
19	A	406	392	203.51	5.24	0.73	0.85
20	A	313	302	17.01	0.47	0.45	0.62
21	A	141	136	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	0.040
H6	0.595	0.536	1.421
H7	-1.327	1.453	0.003
H8	-0.670	0.508	-1.410
H9	1.086	-1.381	0.013

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5350	1.4818	2.4381	1.1002	1.1051	2.2085	2.1981	2.0380
C2	1.5350		2.4938	1.4916	2.1755	2.1763	1.1004	1.0989	2.6940
O3	1.4818	2.4938		2.9621	2.0564	2.1396	3.4633	2.6992	0.9855
F4	2.4381	1.4916	2.9621		3.4051	2.6466	2.0857	2.0814	2.6263
H5	1.1002	2.1755	2.0564	3.4051		1.8027	2.5580	2.5892	2.8890
H6	1.1051	2.1763	2.1396	2.6466	1.8027		2.5587	3.1012	2.4285
H7	2.2085	1.1004	3.4633	2.0857	2.5580	2.5587		1.8230	3.7218
H8	2.1981	1.0989	2.6992	2.0814	2.5892	3.1012	1.8230		2.9451
H9	2.0380	2.6940	0.9855	2.6263	2.8890	2.4285	3.7218	2.9451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.322	C1	C2	H7	112.826
C1	C2	H8	112.075	C1	O3	H9	109.741
C2	C1	O3	111.499	C2	C1	H5	110.197
C2	C1	H6	109.977	O3	C1	H5	104.616
O3	C1	H6	110.765

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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