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	hartrees
Energy at 0K	-254.101948
Energy at 298.15K
HF Energy	-254.101948
Nuclear repulsion energy	129.898112

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	3702	3702	28.91	61.89	0.19	0.31
2	A	3023	3023	34.24	54.02	0.72	0.84
3	A	3008	3008	25.70	99.16	0.31	0.48
4	A	2963	2963	28.21	133.97	0.11	0.20
5	A	2921	2921	43.08	145.85	0.16	0.27
6	A	1437	1437	4.08	3.72	0.73	0.84
7	A	1431	1431	4.20	8.32	0.72	0.84
8	A	1374	1374	32.26	4.97	0.45	0.63
9	A	1352	1352	12.34	3.72	0.74	0.85
10	A	1333	1333	0.08	4.02	0.75	0.86
11	A	1222	1222	8.95	6.93	0.70	0.83
12	A	1185	1185	11.23	4.71	0.73	0.84
13	A	1087	1087	11.22	2.37	0.32	0.48
14	A	1060	1060	83.10	2.10	0.75	0.86
15	A	1008	1008	71.70	2.46	0.57	0.73
16	A	867	867	16.07	4.72	0.36	0.53
17	A	832	832	31.43	4.06	0.42	0.59
18	A	499	499	8.44	1.01	0.73	0.84
19	A	377	377	95.45	1.51	0.72	0.84
20	A	307	307	24.46	0.42	0.60	0.75
21	A	143	143	10.55	0.06	0.64	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.572	0.287
C2	-0.716	0.559	-0.285
O3	1.476	-0.510	-0.187
F4	-1.381	-0.602	0.158
H5	1.188	1.498	-0.029
H6	0.626	0.579	1.392
H7	-1.298	1.432	0.054
H8	-0.695	0.524	-1.385
H9	1.003	-1.327	0.039

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5118	1.4230	2.3788	1.1007	1.1064	2.1715	2.1678	1.9423
C2	1.5118		2.4406	1.4100	2.1384	2.1484	1.1018	1.1007	2.5726
O3	1.4230	2.4406		2.8795	2.0342	2.0983	3.3939	2.6863	0.9715
F4	2.3788	1.4100	2.8795		3.3238	2.6361	2.0379	2.0296	2.4947
H5	1.1007	2.1384	2.0342	3.3238		1.7833	2.4882	2.5171	2.8320
H6	1.1064	2.1484	2.0983	2.6361	1.7833		2.4937	3.0762	2.3676
H7	2.1715	1.1018	3.3939	2.0379	2.4882	2.4937		1.8049	3.5919
H8	2.1678	1.1007	2.6863	2.0296	2.5171	3.0762	1.8049		2.8877
H9	1.9423	2.5726	0.9715	2.4947	2.8320	2.3676	3.5919	2.8877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.960	C1	C2	H7	111.415
C1	C2	H8	111.181	C1	O3	H9	106.899
C2	C1	O3	112.496	C2	C1	H5	108.859
C2	C1	H6	109.307	O3	C1	H5	106.723
O3	C1	H6	111.492

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

using model chemistry: PBEPBEultrafine/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.031
2	C	0.031
3	O	-0.324
4	F	-0.226
5	H	0.069
6	H	0.071
7	H	0.067
8	H	0.084
9	H	0.197

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

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

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