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	hartrees
Energy at 0K	-253.591550
Energy at 298.15K
HF Energy	-252.936642
Nuclear repulsion energy	131.565308

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	3880	3625	35.00	46.72	0.24	0.39
2	A	3225	3014	39.20	45.95	0.73	0.85
3	A	3204	2993	25.86	70.85	0.47	0.64
4	A	3149	2943	28.16	96.01	0.13	0.23
5	A	3108	2904	42.30	93.83	0.17	0.29
6	A	1570	1467	1.66	5.75	0.74	0.85
7	A	1561	1459	1.23	12.37	0.74	0.85
8	A	1483	1386	30.48	4.06	0.60	0.75
9	A	1452	1356	28.85	2.50	0.71	0.83
10	A	1421	1328	9.03	11.15	0.75	0.86
11	A	1300	1215	7.84	10.24	0.71	0.83
12	A	1258	1176	15.19	6.74	0.75	0.86
13	A	1171	1095	3.95	2.26	0.28	0.44
14	A	1138	1063	82.19	5.13	0.72	0.83
15	A	1090	1018	56.14	1.70	0.63	0.78
16	A	932	871	16.53	6.61	0.30	0.46
17	A	900	841	32.87	4.05	0.43	0.60
18	A	535	500	11.50	1.00	0.74	0.85
19	A	450	421	139.07	2.91	0.74	0.85
20	A	330	309	11.49	0.25	0.57	0.72
21	A	174	162	12.07	0.03	0.35	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.589	0.278
C2	-0.713	0.576	-0.277
O3	1.417	-0.532	-0.187
F4	-1.322	-0.611	0.159
H5	1.215	1.479	-0.060
H6	0.638	0.614	1.371
H7	-1.307	1.418	0.077
H8	-0.698	0.561	-1.365
H9	0.876	-1.301	0.035

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5057	1.4172	2.3425	1.0885	1.0941	2.1678	2.1484	1.9151
C2	1.5057		2.4031	1.4032	2.1404	2.1313	1.0894	1.0883	2.4792
O3	1.4172	2.4031		2.7618	2.0252	2.0853	3.3605	2.6560	0.9653
F4	2.3425	1.4032	2.7618		3.2941	2.6095	2.0308	2.0214	2.3072
H5	1.0885	2.1404	2.0252	3.2941		1.7684	2.5263	2.4909	2.8016
H6	1.0941	2.1313	2.0853	2.6095	1.7684		2.4702	3.0448	2.3469
H7	2.1678	1.0894	3.3605	2.0308	2.5263	2.4702		1.7848	3.4871
H8	2.1484	1.0883	2.6560	2.0214	2.4909	3.0448	1.7848		2.8112
H9	1.9151	2.4792	0.9653	2.3072	2.8016	2.3469	3.4871	2.8112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.221	C1	C2	H7	112.311
C1	C2	H8	110.804	C1	O3	H9	105.412
C2	C1	O3	110.567	C2	C1	H5	110.155
C2	C1	H6	109.100	O3	C1	H5	107.118
O3	C1	H6	111.624

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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