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	hartrees
Energy at 0K	-249.737979
Energy at 298.15K
HF Energy	-249.576696
Nuclear repulsion energy	127.224630

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	3863	3434	33.64	28.68	0.28	0.44
2	A	3484	3097	5.17	28.94	0.65	0.79
3	A	3452	3068	9.07	29.50	0.74	0.85
4	A	3351	2978	11.80	34.97	0.18	0.31
5	A	3341	2970	7.61	36.39	0.15	0.26
6	A	1706	1517	0.78	5.46	0.74	0.85
7	A	1698	1509	0.02	16.19	0.75	0.86
8	A	1639	1457	14.94	11.03	0.71	0.83
9	A	1560	1387	10.09	5.64	0.66	0.80
10	A	1539	1368	12.76	4.48	0.71	0.83
11	A	1363	1212	6.80	10.96	0.75	0.86
12	A	1339	1190	9.54	7.18	0.75	0.85
13	A	1262	1122	4.09	5.82	0.63	0.77
14	A	1205	1071	0.44	1.84	0.43	0.60
15	A	1153	1025	10.64	2.40	0.56	0.71
16	A	963	856	1.06	6.79	0.28	0.44
17	A	945	840	4.99	3.84	0.51	0.68
18	A	527	469	1.36	2.19	0.74	0.85
19	A	405	360	66.51	4.78	0.75	0.86
20	A	269	239	13.83	1.13	0.67	0.80
21	A	77	69	4.34	0.08	0.58	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.720	0.595	0.277
C2	-0.763	0.561	-0.268
O3	1.513	-0.536	-0.195
F4	-1.402	-0.618	0.151
H5	1.218	1.518	-0.088
H6	0.687	0.641	1.392
H7	-1.316	1.457	0.107
H8	-0.748	0.608	-1.383
H9	0.938	-1.315	0.118

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5805	1.4594	2.4480	1.1104	1.1161	2.2171	2.2164	1.9288
C2	1.5805		2.5275	1.4055	2.2071	2.2054	1.1166	1.1165	2.5622
O3	1.4594	2.5275		2.9368	2.0777	2.1410	3.4727	2.7983	1.0174
F4	2.4480	1.4055	2.9368		3.3890	2.7367	2.0769	2.0703	2.4426
H5	1.1104	2.2071	2.0777	3.3890		1.8003	2.5415	2.5238	2.8542
H6	1.1161	2.2054	2.1410	2.7367	1.8003		2.5155	3.1243	2.3471
H7	2.2171	1.1166	3.4727	2.0769	2.5415	2.5155		1.8062	3.5723
H8	2.2164	1.1165	2.7983	2.0703	2.5238	3.1243	1.8062		2.9659
H9	1.9288	2.5622	1.0174	2.4426	2.8542	2.3471	3.5723	2.9659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.994	C1	C2	H7	109.367
C1	C2	H8	109.320	C1	O3	H9	100.782
C2	C1	O3	112.432	C2	C1	H5	108.953
C2	C1	H6	108.511	O3	C1	H5	107.119
O3	C1	H6	111.777

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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