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	hartrees
Energy at 0K	-254.210689
Energy at 298.15K
HF Energy	-254.210689
Nuclear repulsion energy	130.169127

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	3643	3623	16.88	52.33	0.21	0.35
2	A	2998	2982	45.36	58.75	0.44	0.61
3	A	2992	2976	37.56	81.88	0.47	0.64
4	A	2942	2926	35.91	104.18	0.14	0.24
5	A	2891	2875	52.04	109.74	0.23	0.37
6	A	1460	1452	2.73	4.62	0.72	0.84
7	A	1453	1445	1.72	12.13	0.73	0.84
8	A	1395	1387	48.37	7.00	0.64	0.78
9	A	1373	1366	12.82	4.90	0.74	0.85
10	A	1348	1340	0.46	7.46	0.75	0.86
11	A	1227	1220	6.75	10.21	0.73	0.84
12	A	1191	1185	16.54	6.94	0.75	0.85
13	A	1100	1094	1.75	1.81	0.24	0.39
14	A	1039	1034	86.21	3.32	0.72	0.84
15	A	1012	1006	45.82	1.39	0.46	0.63
16	A	864	859	15.42	5.71	0.38	0.55
17	A	837	833	27.21	5.39	0.37	0.53
18	A	506	504	6.28	1.14	0.73	0.84
19	A	427	424	104.50	2.72	0.75	0.86
20	A	308	306	6.30	0.23	0.55	0.71
21	A	158	157	9.62	0.03	0.34	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	0.596	0.272
C2	-0.730	0.576	-0.273
O3	1.439	-0.538	-0.183
F4	-1.336	-0.618	0.160
H5	1.222	1.495	-0.091
H6	0.661	0.646	1.380
H7	-1.325	1.429	0.098
H8	-0.731	0.574	-1.377
H9	0.880	-1.309	0.024

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5280	1.4295	2.3704	1.1026	1.1098	2.1939	2.1811	1.9302
C2	1.5280		2.4403	1.4068	2.1661	2.1618	1.1046	1.1038	2.4969
O3	1.4295	2.4403		2.7973	2.0465	2.1093	3.4044	2.7149	0.9750
F4	2.3704	1.4068	2.7973		3.3276	2.6595	2.0480	2.0369	2.3252
H5	1.1026	2.1661	2.0465	3.3276		1.7886	2.5556	2.5135	2.8275
H6	1.1098	2.1618	2.1093	2.6595	1.7886		2.4903	3.0891	2.3896
H7	2.1939	1.1046	3.4044	2.0480	2.5556	2.4903		1.8057	3.5167
H8	2.1811	1.1038	2.7149	2.0369	2.5135	3.0891	1.8057		2.8466
H9	1.9302	2.4969	0.9750	2.3252	2.8275	2.3896	3.5167	2.8466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.675	C1	C2	H7	111.894
C1	C2	H8	110.918	C1	O3	H9	105.218
C2	C1	O3	111.159	C2	C1	H5	109.809
C2	C1	H6	109.053	O3	C1	H5	107.140
O3	C1	H6	111.714

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.060
2	C	-0.066
3	O	-0.369
4	F	-0.140
5	H	0.098
6	H	0.083
7	H	0.089
8	H	0.098
9	H	0.268

	x	y	z	Total
	-0.627	1.126	0.154	1.298
CHELPG
AIM
ESP

	x	y	z
x	4.504	-0.118	0.024
y	-0.118	4.608	0.046
z	0.024	0.046	4.050

<r²>	80.673
(<r²>)^1/2	8.982

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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