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	hartrees
Energy at 0K	-254.279669
Energy at 298.15K
HF Energy	-254.279669
Nuclear repulsion energy	129.393087

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	3660	3645	21.47	58.73	0.24	0.38
2	A	3014	3003	46.15	62.47	0.72	0.84
3	A	2995	2983	35.14	102.14	0.30	0.47
4	A	2956	2944	33.65	128.30	0.15	0.26
5	A	2900	2889	54.29	138.60	0.21	0.35
6	A	1452	1446	0.43	1.68	0.75	0.86
7	A	1451	1445	6.35	14.17	0.75	0.85
8	A	1393	1387	44.09	6.53	0.62	0.76
9	A	1369	1363	9.24	5.14	0.68	0.81
10	A	1348	1342	0.40	6.29	0.73	0.84
11	A	1222	1217	9.85	9.94	0.72	0.84
12	A	1190	1186	16.39	6.79	0.75	0.85
13	A	1090	1086	0.27	1.58	0.46	0.63
14	A	1029	1025	85.06	3.30	0.75	0.86
15	A	986	982	46.16	2.36	0.65	0.79
16	A	859	856	22.68	5.06	0.42	0.59
17	A	827	823	39.74	4.94	0.38	0.55
18	A	503	501	7.76	1.51	0.74	0.85
19	A	436	435	123.04	2.98	0.75	0.86
20	A	313	312	9.21	0.40	0.60	0.75
21	A	152	151	11.07	0.05	0.35	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.586	0.287
C2	-0.719	0.577	-0.287
O3	1.463	-0.527	-0.188
F4	-1.370	-0.612	0.160
H5	1.217	1.496	-0.038
H6	0.634	0.597	1.392
H7	-1.313	1.437	0.061
H8	-0.698	0.541	-1.386
H9	0.943	-1.321	0.031

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5223	1.4356	2.3872	1.1003	1.1067	2.1894	2.1752	1.9406
C2	1.5223		2.4476	1.4277	2.1570	2.1561	1.1012	1.0997	2.5429
O3	1.4356	2.4476		2.8557	2.0437	2.1098	3.4100	2.6921	0.9742
F4	2.3872	1.4277	2.8557		3.3428	2.6449	2.0520	2.0417	2.4225
H5	1.1003	2.1570	2.0437	3.3428		1.7870	2.5328	2.5293	2.8314
H6	1.1067	2.1561	2.1098	2.6449	1.7870		2.5037	3.0814	2.3730
H7	2.1894	1.1012	3.4100	2.0520	2.5328	2.5037		1.8090	3.5633
H8	2.1752	1.0997	2.6921	2.0417	2.5293	3.0814	1.8090		2.8578
H9	1.9406	2.5429	0.9742	2.4225	2.8314	2.3730	3.5633	2.8578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.999	C1	C2	H7	112.138
C1	C2	H8	111.093	C1	O3	H9	105.680
C2	C1	O3	111.652	C2	C1	H5	109.611
C2	C1	H6	109.171	O3	C1	H5	106.655
O3	C1	H6	111.523

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

using model chemistry: BLYP/6-311G**

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	-0.038
2	C	0.060
3	O	-0.370
4	F	-0.279
5	H	0.102
6	H	0.098
7	H	0.093
8	H	0.101
9	H	0.232

	x	y	z	Total
	-0.516	1.321	0.207	1.433
CHELPG
AIM
ESP

	x	y	z
x	4.528	-0.132	0.063
y	-0.132	4.610	0.043
z	0.063	0.043	4.079

<r²>	82.123
(<r²>)^1/2	9.062

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

using model chemistry: BLYP/6-311G**

States and conformations

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