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	hartrees
Energy at 0K	-253.046455
Energy at 298.15K
HF Energy	-253.046455
Nuclear repulsion energy	132.018675

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	4163	3773	67.83	48.03	0.22	0.36
2	A	3255	2950	49.38	44.39	0.73	0.84
3	A	3228	2926	52.51	94.45	0.22	0.36
4	A	3200	2900	22.77	111.83	0.16	0.28
5	A	3157	2862	47.94	114.75	0.17	0.29
6	A	1630	1478	2.51	2.37	0.75	0.86
7	A	1622	1471	3.68	6.66	0.75	0.86
8	A	1571	1424	28.15	1.98	0.12	0.21
9	A	1532	1389	26.13	0.59	0.70	0.82
10	A	1497	1357	12.64	5.70	0.74	0.85
11	A	1385	1256	12.14	5.62	0.67	0.81
12	A	1319	1195	22.40	2.95	0.74	0.85
13	A	1235	1119	40.15	4.10	0.40	0.57
14	A	1203	1091	77.75	2.81	0.68	0.81
15	A	1159	1050	95.68	2.45	0.71	0.83
16	A	971	881	16.78	4.49	0.33	0.50
17	A	931	844	38.67	5.70	0.24	0.38
18	A	559	506	14.06	0.71	0.74	0.85
19	A	392	355	95.53	1.02	0.69	0.82
20	A	328	298	54.38	0.46	0.59	0.74
21	A	165	149	11.18	0.05	0.62	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	0.565	0.281
C2	-0.722	0.540	-0.278
O3	1.456	-0.492	-0.191
F4	-1.361	-0.593	0.155
H5	1.162	1.481	-0.031
H6	0.632	0.563	1.367
H7	-1.292	1.395	0.063
H8	-0.709	0.514	-1.359
H9	1.071	-1.309	0.068

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5073	1.3946	2.3476	1.0823	1.0866	2.1481	2.1481	1.9268
C2	1.5073		2.4115	1.3706	2.1203	2.1304	1.0823	1.0812	2.5990
O3	1.3946	2.4115		2.8400	2.0008	2.0537	3.3425	2.6575	0.9402
F4	2.3476	1.3706	2.8400		3.2710	2.6027	1.9909	1.9854	2.5371
H5	1.0823	2.1203	2.0008	3.2710		1.7542	2.4567	2.4898	2.7935
H6	1.0866	2.1304	2.0537	2.6027	1.7542		2.4683	3.0379	2.3204
H7	2.1481	1.0823	3.3425	1.9909	2.4567	2.4683		1.7707	3.5910
H8	2.1481	1.0812	2.6575	1.9854	2.4898	3.0379	1.7707		2.9206
H9	1.9268	2.5990	0.9402	2.5371	2.7935	2.3204	3.5910	2.9206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.226	C1	C2	H7	111.033
C1	C2	H8	111.105	C1	O3	H9	109.692
C2	C1	O3	112.348	C2	C1	H5	108.821
C2	C1	H6	109.358	O3	C1	H5	107.090
O3	C1	H6	111.125

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

using model chemistry: HF/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	0.180
2	C	0.203
3	O	-0.432
4	F	-0.319
5	H	0.034
6	H	0.038
7	H	0.032
8	H	0.046
9	H	0.217

	x	y	z	Total
	-0.427	1.370	0.324	1.471
CHELPG
AIM
ESP

	x	y	z
x	4.248	-0.085	0.010
y	-0.085	4.366	0.012
z	0.010	0.012	3.972

<r²>	80.227
(<r²>)^1/2	8.957

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

using model chemistry: HF/Def2TZVPP

States and conformations

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