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	hartrees
Energy at 0K	-253.007713
Energy at 298.15K
HF Energy	-253.007713
Nuclear repulsion energy	132.994445

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	3615	3547	32.48	53.81	0.20	0.34
2	A	3039	2981	36.31	60.44	0.67	0.80
3	A	3033	2975	24.29	92.23	0.37	0.54
4	A	2978	2921	28.70	103.88	0.14	0.24
5	A	2908	2853	53.97	124.84	0.22	0.37
6	A	1464	1436	4.56	3.12	0.69	0.82
7	A	1457	1430	4.61	16.63	0.73	0.84
8	A	1404	1377	57.21	9.50	0.67	0.80
9	A	1371	1345	17.88	8.29	0.73	0.85
10	A	1345	1319	0.70	8.68	0.75	0.85
11	A	1233	1209	7.74	12.78	0.72	0.84
12	A	1210	1187	6.87	9.81	0.75	0.86
13	A	1139	1118	63.43	2.50	0.43	0.61
14	A	1097	1076	55.26	3.06	0.75	0.86
15	A	1079	1058	55.82	1.77	0.50	0.67
16	A	913	896	14.52	7.71	0.44	0.62
17	A	866	850	21.79	2.84	0.66	0.80
18	A	524	514	16.07	0.79	0.73	0.85
19	A	505	496	129.74	3.57	0.75	0.86
20	A	326	320	3.55	0.21	0.68	0.81
21	A	178	175	13.30	0.07	0.35	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	0.594	0.257
C2	-0.709	0.584	-0.262
O3	1.361	-0.556	-0.177
F4	-1.270	-0.612	0.161
H5	1.243	1.476	-0.124
H6	0.671	0.671	1.368
H7	-1.314	1.427	0.122
H8	-0.715	0.592	-1.368
H9	0.724	-1.282	-0.001

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.4982	1.3972	2.3094	1.1051	1.1145	2.1810	2.1530	1.8941
C2	1.4982		2.3643	1.3865	2.1506	2.1371	1.1067	1.1068	2.3667
O3	1.3972	2.3643		2.6537	2.0364	2.0904	3.3434	2.6549	0.9820
F4	2.3094	1.3865	2.6537		3.2798	2.6209	2.0390	2.0238	2.1103
H5	1.1051	2.1506	2.0364	3.2798		1.7897	2.5696	2.4831	2.8095
H6	1.1145	2.1371	2.0904	2.6209	1.7897		2.4627	3.0686	2.3856
H7	2.1810	1.1067	3.3434	2.0390	2.5696	2.4627		1.8103	3.3923
H8	2.1530	1.1068	2.6549	2.0238	2.4831	3.0686	1.8103		2.7301
H9	1.8941	2.3667	0.9820	2.1103	2.8095	2.3856	3.3923	2.7301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	106.299	C1	C2	H7	112.837
C1	C2	H8	110.578	C1	O3	H9	104.155
C2	C1	O3	109.436	C2	C1	H5	110.491
C2	C1	H6	108.869	O3	C1	H5	108.382
O3	C1	H6	112.177

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

using model chemistry: SVWN/6-31G*

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	-0.149
2	C	-0.088
3	O	-0.575
4	F	-0.264
5	H	0.178
6	H	0.159
7	H	0.163
8	H	0.174
9	H	0.402

	x	y	z	Total
	-0.933	1.233	0.144	1.552
CHELPG
AIM
ESP

	x	y	z
x	4.137	-0.123	0.011
y	-0.123	4.304	0.082
z	0.011	0.082	3.821

<r²>	76.855
(<r²>)^1/2	8.767

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

using model chemistry: SVWN/6-31G*

States and conformations

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