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	hartrees
Energy at 0K	-254.233472
Energy at 298.15K
HF Energy	-254.233472
Nuclear repulsion energy	129.753225

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	3754	3705	30.36	58.68	0.16	0.28
2	A	3038	2998	38.48	51.23	0.72	0.84
3	A	3018	2979	32.05	96.37	0.31	0.47
4	A	2977	2938	30.89	136.10	0.11	0.20
5	A	2937	2898	46.37	137.02	0.15	0.26
6	A	1460	1441	3.43	3.21	0.75	0.86
7	A	1457	1438	4.08	6.58	0.75	0.86
8	A	1392	1374	28.55	3.65	0.30	0.46
9	A	1370	1352	12.63	1.82	0.74	0.85
10	A	1350	1332	0.43	3.06	0.62	0.77
11	A	1238	1222	8.68	4.67	0.70	0.82
12	A	1196	1181	14.09	3.09	0.69	0.82
13	A	1095	1081	3.94	2.22	0.14	0.25
14	A	1054	1041	92.43	2.03	0.67	0.80
15	A	1004	991	74.16	3.06	0.58	0.73
16	A	869	858	20.85	4.36	0.37	0.54
17	A	830	819	34.88	5.12	0.29	0.45
18	A	504	498	9.08	0.79	0.71	0.83
19	A	370	365	87.25	0.70	0.73	0.84
20	A	308	304	32.78	0.44	0.36	0.53
21	A	150	148	9.73	0.10	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.568	0.290
C2	-0.717	0.554	-0.288
O3	1.488	-0.503	-0.189
F4	-1.396	-0.598	0.157
H5	1.180	1.495	-0.018
H6	0.625	0.562	1.390
H7	-1.292	1.427	0.046
H8	-0.695	0.511	-1.383
H9	1.043	-1.327	0.044

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5144	1.4232	2.3867	1.0962	1.1012	2.1672	2.1678	1.9443
C2	1.5144		2.4476	1.4094	2.1348	2.1488	1.0972	1.0957	2.5969
O3	1.4232	2.4476		2.9064	2.0286	2.0909	3.3927	2.6871	0.9654
F4	2.3867	1.4094	2.9064		3.3236	2.6363	2.0304	2.0230	2.5474
H5	1.0962	2.1348	2.0286	3.3236		1.7774	2.4742	2.5194	2.8257
H6	1.1012	2.1488	2.0909	2.6363	1.7774		2.4961	3.0713	2.3567
H7	2.1672	1.0972	3.3927	2.0304	2.4742	2.4961		1.7988	3.6101
H8	2.1678	1.0957	2.6871	2.0230	2.5194	3.0713	1.7988		2.9038
H9	1.9443	2.5969	0.9654	2.5474	2.8257	2.3567	3.6101	2.9038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.381	C1	C2	H7	111.165
C1	C2	H8	111.301	C1	O3	H9	107.421
C2	C1	O3	112.826	C2	C1	H5	108.665
C2	C1	H6	109.466	O3	C1	H5	106.530
O3	C1	H6	111.203

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.182
2	C	0.189
3	O	-0.604
4	F	-0.449
5	H	0.110
6	H	0.113
7	H	0.116
8	H	0.123
9	H	0.220

	x	y	z	Total
	-0.406	1.335	0.237	1.416
CHELPG
AIM
ESP

	x	y	z
x	5.369	-0.143	0.059
y	-0.143	5.231	0.054
z	0.059	0.054	4.795

<r²>	82.678
(<r²>)^1/2	9.093

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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