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	hartrees
Energy at 0K	-251.978570
Energy at 298.15K
HF Energy	-251.536875
Nuclear repulsion energy	129.641892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3515	3418	2.79
2	A	3132	3045	38.49
3	A	3125	3039	19.98
4	A	3078	2993	21.47
5	A	3029	2945	35.12
6	A	1593	1549	1.45
7	A	1585	1541	0.73
8	A	1465	1424	8.56
9	A	1455	1414	48.80
10	A	1436	1396	3.23
11	A	1288	1252	8.11
12	A	1259	1225	15.20
13	A	1151	1119	3.77
14	A	1081	1051	29.40
15	A	1033	1004	39.31
16	A	907	882	9.63
17	A	880	856	26.02
18	A	517	503	20.39
19	A	488	475	164.20
20	A	308	299	2.68
21	A	175	170	14.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	0.628	0.281
C2	-0.727	0.605	-0.281
O3	1.402	-0.569	-0.189
F4	-1.300	-0.638	0.166
H5	1.251	1.494	-0.093
H6	0.652	0.674	1.380
H7	-1.336	1.440	0.083
H8	-0.700	0.600	-1.376
H9	0.789	-1.320	0.023

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5305	1.4667	2.3674	1.0942	1.1011	2.1978	2.1673	1.9680
C2	1.5305		2.4329	1.4402	2.1767	2.1600	1.0955	1.0952	2.4693
O3	1.4667	2.4329		2.7262	2.0706	2.1373	3.4068	2.6823	0.9933
F4	2.3674	1.4402	2.7262		3.3352	2.6474	2.0800	2.0660	2.2019
H5	1.0942	2.1767	2.0706	3.3352		1.7895	2.5940	2.5007	2.8549
H6	1.1011	2.1600	2.1373	2.6474	1.7895		2.4948	3.0708	2.4163
H7	2.1978	1.0955	3.4068	2.0800	2.5940	2.4948		1.7992	3.4839
H8	2.1673	1.0952	2.6823	2.0660	2.5007	3.0708	1.7992		2.8038
H9	1.9680	2.4693	0.9933	2.2019	2.8549	2.4163	3.4839	2.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	105.630	C1	C2	H7	112.587
C1	C2	H8	110.153	C1	O3	H9	104.620
C2	C1	O3	108.513	C2	C1	H5	110.967
C2	C1	H6	109.242	O3	C1	H5	107.011
O3	C1	H6	111.897

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

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

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