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	hartrees
Energy at 0K	-254.292503
Energy at 298.15K
HF Energy	-254.292503
Nuclear repulsion energy	130.820609

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	3848	3848	39.96	55.72	0.20	0.33
2	A	3106	3106	32.93	49.56	0.74	0.85
3	A	3087	3087	27.14	91.44	0.30	0.47
4	A	3046	3046	25.14	122.40	0.11	0.20
5	A	3004	3004	40.96	134.30	0.15	0.26
6	A	1489	1489	3.68	3.18	0.73	0.84
7	A	1483	1483	4.58	7.65	0.73	0.84
8	A	1425	1425	26.40	3.24	0.36	0.52
9	A	1399	1399	19.19	2.48	0.75	0.86
10	A	1380	1380	1.54	4.99	0.74	0.85
11	A	1269	1269	9.56	6.15	0.69	0.82
12	A	1224	1224	13.00	3.92	0.74	0.85
13	A	1131	1131	33.70	2.91	0.36	0.53
14	A	1105	1105	67.74	1.86	0.70	0.82
15	A	1056	1056	80.79	2.42	0.61	0.76
16	A	898	898	14.12	4.53	0.33	0.50
17	A	862	862	31.20	4.02	0.37	0.54
18	A	515	515	9.71	0.88	0.73	0.85
19	A	377	377	93.84	1.27	0.70	0.82
20	A	311	311	35.26	0.42	0.60	0.75
21	A	147	147	10.84	0.06	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.567	0.285
C2	-0.715	0.551	-0.283
O3	1.469	-0.501	-0.188
F4	-1.375	-0.596	0.156
H5	1.175	1.490	-0.025
H6	0.625	0.570	1.381
H7	-1.290	1.418	0.053
H8	-0.696	0.517	-1.374
H9	1.027	-1.321	0.047

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5059	1.4101	2.3648	1.0926	1.0978	2.1579	2.1556	1.9341
C2	1.5059		2.4263	1.3945	2.1265	2.1370	1.0933	1.0923	2.5779
O3	1.4101	2.4263		2.8668	2.0192	2.0790	3.3695	2.6704	0.9606
F4	2.3648	1.3945	2.8668		3.3002	2.6198	2.0190	2.0115	2.5113
H5	1.0926	2.1265	2.0192	3.3002		1.7686	2.4675	2.5031	2.8155
H6	1.0978	2.1370	2.0790	2.6198	1.7686		2.4804	3.0564	2.3485
H7	2.1579	1.0933	3.3695	2.0190	2.4675	2.4804		1.7893	3.5872
H8	2.1556	1.0923	2.6704	2.0115	2.5031	3.0564	1.7893		2.8925
H9	1.9341	2.5779	0.9606	2.5113	2.8155	2.3485	3.5872	2.8925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.185	C1	C2	H7	111.257
C1	C2	H8	111.125	C1	O3	H9	107.833
C2	C1	O3	112.583	C2	C1	H5	108.805
C2	C1	H6	109.317	O3	C1	H5	106.885
O3	C1	H6	111.384

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

using model chemistry: B3PW91/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	0.049
2	C	0.055
3	O	-0.348
4	F	-0.250
5	H	0.069
6	H	0.073
7	H	0.069
8	H	0.085
9	H	0.198

	x	y	z	Total
	-0.428	1.245	0.254	1.341
CHELPG
AIM
ESP

	x	y	z
x	4.756	-0.106	0.035
y	-0.106	4.783	0.031
z	0.035	0.031	4.328

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

using model chemistry: B3PW91/Def2TZVPP

States and conformations

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