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	hartrees
Energy at 0K	-252.758159
Energy at 298.15K
HF Energy	-252.758159
Nuclear repulsion energy	131.090987

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	3542	3396	13.48	55.98	0.26	0.41
2	A	3171	3040	23.93	56.66	0.41	0.58
3	A	3163	3033	17.87	61.22	0.56	0.72
4	A	3108	2980	18.04	82.36	0.15	0.26
5	A	3060	2934	32.50	93.28	0.23	0.37
6	A	1574	1509	2.50	6.37	0.75	0.85
7	A	1568	1503	1.71	16.59	0.74	0.85
8	A	1453	1393	9.94	3.63	0.69	0.82
9	A	1444	1384	40.32	6.99	0.70	0.83
10	A	1419	1361	13.19	14.68	0.75	0.86
11	A	1282	1229	8.53	13.09	0.72	0.84
12	A	1256	1204	20.60	10.69	0.75	0.86
13	A	1149	1102	1.94	2.96	0.47	0.64
14	A	1099	1054	43.80	5.91	0.67	0.80
15	A	1055	1011	52.42	1.29	0.73	0.84
16	A	917	879	10.20	7.68	0.33	0.49
17	A	898	861	25.20	5.79	0.34	0.51
18	A	535	513	91.93	5.89	0.75	0.86
19	A	509	488	98.49	1.61	0.74	0.85
20	A	310	297	2.10	0.21	0.58	0.74
21	A	184	176	14.74	0.11	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.703	0.630	0.269
C2	-0.720	0.614	-0.270
O3	1.358	-0.582	-0.184
F4	-1.262	-0.637	0.165
H5	1.262	1.477	-0.128
H6	0.673	0.698	1.363
H7	-1.330	1.432	0.115
H8	-0.709	0.621	-1.362
H9	0.702	-1.306	0.007

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5217	1.4499	2.3407	1.0897	1.0970	2.1910	2.1565	1.9536
C2	1.5217		2.3987	1.4318	2.1664	2.1485	1.0907	1.0912	2.4053
O3	1.4499	2.3987		2.6436	2.0620	2.1211	3.3718	2.6650	0.9951
F4	2.3407	1.4318	2.6436		3.3059	2.6385	2.0710	2.0542	2.0811
H5	1.0897	2.1664	2.0620	3.3059		1.7829	2.6040	2.4778	2.8420
H6	1.0970	2.1485	2.1211	2.6385	1.7829		2.4722	3.0561	2.4196
H7	2.1910	1.0907	3.3718	2.0710	2.6040	2.4722		1.7954	3.4115
H8	2.1565	1.0912	2.6650	2.0542	2.4778	3.0561	1.7954		2.7520
H9	1.9536	2.4053	0.9951	2.0811	2.8420	2.4196	3.4115	2.7520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	104.805	C1	C2	H7	112.972
C1	C2	H8	110.161	C1	O3	H9	104.537
C2	C1	O3	107.625	C2	C1	H5	111.037
C2	C1	H6	109.189	O3	C1	H5	107.725
O3	C1	H6	112.029

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.180
2	C	-0.112
3	O	-0.581
4	F	-0.322
5	H	0.219
6	H	0.200
7	H	0.202
8	H	0.219
9	H	0.355

	x	y	z	Total
	-1.095	1.825	0.180	2.136
CHELPG
AIM
ESP

	x	y	z
x	3.424	-0.028	-0.054
y	-0.028	3.834	0.050
z	-0.054	0.050	3.144

<r²>	78.123
(<r²>)^1/2	8.839

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

using model chemistry: M06-2X/3-21G

States and conformations

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