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	hartrees
Energy at 0K	-254.130821
Energy at 298.15K
HF Energy	-254.130821
Nuclear repulsion energy	130.319395

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	3723	3723	18.36	58.21	0.23	0.38
2	A	3046	3046	59.87	56.73	0.62	0.76
3	A	3037	3037	38.08	94.10	0.41	0.58
4	A	2984	2984	42.06	115.34	0.14	0.24
5	A	2932	2932	61.62	119.41	0.22	0.36
6	A	1486	1486	2.38	5.71	0.72	0.83
7	A	1479	1479	2.05	14.40	0.73	0.84
8	A	1415	1415	45.04	7.52	0.68	0.81
9	A	1392	1392	23.11	6.69	0.74	0.85
10	A	1368	1368	0.57	9.33	0.75	0.86
11	A	1245	1245	7.50	11.94	0.73	0.84
12	A	1210	1210	16.42	7.94	0.75	0.86
13	A	1117	1117	4.17	1.86	0.32	0.49
14	A	1066	1066	92.96	3.73	0.74	0.85
15	A	1033	1033	55.69	1.74	0.55	0.71
16	A	883	883	15.02	5.67	0.43	0.60
17	A	851	851	31.64	5.57	0.39	0.56
18	A	514	514	8.08	1.23	0.74	0.85
19	A	437	437	125.55	3.40	0.74	0.85
20	A	316	316	9.98	0.30	0.62	0.77
21	A	157	157	11.08	0.03	0.42	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.693	0.584	0.279
C2	-0.721	0.571	-0.279
O3	1.448	-0.529	-0.185
F4	-1.352	-0.609	0.159
H5	1.213	1.491	-0.060
H6	0.644	0.615	1.384
H7	-1.306	1.434	0.075
H8	-0.706	0.557	-1.379
H9	0.909	-1.308	0.026

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5200	1.4222	2.3710	1.0995	1.1068	2.1821	2.1695	1.9210
C2	1.5200		2.4333	1.4081	2.1533	2.1514	1.1014	1.1003	2.5061
O3	1.4222	2.4333		2.8224	2.0377	2.1020	3.3919	2.6918	0.9709
F4	2.3710	1.4081	2.8224		3.3231	2.6428	2.0456	2.0357	2.3707
H5	1.0995	2.1533	2.0377	3.3231		1.7822	2.5237	2.5094	2.8175
H6	1.1068	2.1514	2.1020	2.6428	1.7822		2.4870	3.0756	2.3696
H7	2.1821	1.1014	3.3919	2.0456	2.5237	2.4870		1.8004	3.5257
H8	2.1695	1.1003	2.6918	2.0357	2.5094	3.0756	1.8004		2.8400
H9	1.9210	2.5061	0.9709	2.3707	2.8175	2.3696	3.5257	2.8400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.082	C1	C2	H7	111.703
C1	C2	H8	110.765	C1	O3	H9	105.224
C2	C1	O3	111.548	C2	C1	H5	109.529
C2	C1	H6	108.957	O3	C1	H5	107.121
O3	C1	H6	111.831

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

using model chemistry: B97D3/6-31G**

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	0.012
2	C	0.090
3	O	-0.523
4	F	-0.316
5	H	0.115
6	H	0.102
7	H	0.097
8	H	0.112
9	H	0.310

	x	y	z	Total
	-0.659	1.165	0.204	1.354
CHELPG
AIM
ESP

	x	y	z
x	4.180	-0.121	-0.012
y	-0.121	4.360	0.049
z	-0.012	0.049	3.807

<r²>	80.702
(<r²>)^1/2	8.983

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

using model chemistry: B97D3/6-31G**

States and conformations

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