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	hartrees
Energy at 0K	-253.683272
Energy at 298.15K
HF Energy	-252.970408
Nuclear repulsion energy	129.968027

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	3809	3691	45.28	54.21	0.12	0.22
2	A	3184	3086	22.81	44.42	0.75	0.85
3	A	3151	3054	20.73	70.96	0.44	0.61
4	A	3105	3010	24.69	133.32	0.08	0.15
5	A	3069	2975	36.23	124.08	0.10	0.18
6	A	1492	1447	2.99	1.91	0.72	0.83
7	A	1486	1440	4.63	6.35	0.75	0.86
8	A	1430	1386	23.71	2.43	0.18	0.31
9	A	1395	1352	19.67	1.88	0.71	0.83
10	A	1371	1329	0.56	3.03	0.58	0.73
11	A	1262	1223	8.81	3.97	0.67	0.81
12	A	1221	1183	8.93	2.81	0.70	0.82
13	A	1123	1089	4.14	3.09	0.11	0.20
14	A	1116	1081	85.21	2.79	0.65	0.79
15	A	1040	1008	69.55	3.48	0.60	0.75
16	A	899	871	17.87	6.44	0.18	0.31
17	A	862	835	36.11	4.10	0.27	0.42
18	A	513	497	9.86	0.70	0.70	0.83
19	A	388	376	100.43	0.73	0.74	0.85
20	A	315	305	24.42	0.35	0.35	0.52
21	A	156	151	11.12	0.11	0.49	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.579	0.289
C2	-0.715	0.569	-0.286
O3	1.462	-0.516	-0.190
F4	-1.369	-0.608	0.158
H5	1.198	1.496	-0.035
H6	0.629	0.580	1.392
H7	-1.304	1.429	0.065
H8	-0.697	0.531	-1.384
H9	0.986	-1.325	0.048

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5115	1.4274	2.3741	1.1002	1.1039	2.1729	2.1693	1.9430
C2	1.5115		2.4342	1.4172	2.1401	2.1495	1.1003	1.0990	2.5668
O3	1.4274	2.4342		2.8539	2.0356	2.0972	3.3915	2.6802	0.9680
F4	2.3741	1.4172	2.8539		3.3242	2.6312	2.0393	2.0314	2.4640
H5	1.1002	2.1401	2.0356	3.3242		1.7889	2.5051	2.5177	2.8299
H6	1.1039	2.1495	2.0972	2.6312	1.7889		2.4937	3.0766	2.3576
H7	2.1729	1.1003	3.3915	2.0393	2.5051	2.4937		1.8098	3.5814
H8	2.1693	1.0990	2.6802	2.0314	2.5177	3.0766	1.8098		2.8857
H9	1.9430	2.5668	0.9680	2.4640	2.8299	2.3576	3.5814	2.8857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.275	C1	C2	H7	111.634
C1	C2	H8	111.424	C1	O3	H9	106.837
C2	C1	O3	111.811	C2	C1	H5	109.043
C2	C1	H6	109.556	O3	C1	H5	106.568
O3	C1	H6	111.243

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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