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	hartrees
Energy at 0K	-254.229762
Energy at 298.15K
HF Energy	-254.229762
Nuclear repulsion energy	130.740786

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	3886	3699	46.88	52.73	0.19	0.32
2	A	3158	3006	29.08	55.71	0.75	0.85
3	A	3130	2979	25.62	89.50	0.37	0.55
4	A	3090	2941	25.02	123.76	0.13	0.22
5	A	3044	2897	42.48	128.11	0.16	0.27
6	A	1503	1430	3.01	3.79	0.74	0.85
7	A	1498	1426	6.16	10.19	0.75	0.86
8	A	1440	1370	28.54	3.95	0.45	0.62
9	A	1405	1337	21.20	2.85	0.75	0.86
10	A	1384	1318	1.57	6.63	0.73	0.84
11	A	1272	1211	9.49	7.30	0.71	0.83
12	A	1226	1167	11.66	4.42	0.73	0.84
13	A	1146	1091	52.17	3.45	0.31	0.47
14	A	1115	1061	57.83	1.90	0.75	0.86
15	A	1064	1013	85.76	3.18	0.58	0.73
16	A	907	864	12.96	5.12	0.36	0.53
17	A	870	828	36.18	4.36	0.40	0.57
18	A	518	493	10.39	0.85	0.74	0.85
19	A	392	373	124.21	0.82	0.73	0.84
20	A	315	300	31.01	0.31	0.43	0.60
21	A	146	139	12.43	0.06	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.568	0.286
C2	-0.716	0.558	-0.282
O3	1.462	-0.504	-0.191
F4	-1.371	-0.600	0.156
H5	1.185	1.488	-0.025
H6	0.629	0.568	1.383
H7	-1.297	1.418	0.063
H8	-0.701	0.524	-1.374
H9	1.025	-1.324	0.057

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5080	1.4094	2.3650	1.0937	1.0988	2.1643	2.1604	1.9372
C2	1.5080		2.4244	1.4003	2.1316	2.1401	1.0939	1.0930	2.5854
O3	1.4094	2.4244		2.8558	2.0178	2.0787	3.3717	2.6710	0.9627
F4	2.3650	1.4003	2.8558		3.3052	2.6205	2.0212	2.0135	2.5043
H5	1.0937	2.1316	2.0178	3.3052		1.7724	2.4842	2.5107	2.8183
H6	1.0988	2.1401	2.0787	2.6205	1.7724		2.4844	3.0615	2.3442
H7	2.1643	1.0939	3.3717	2.0212	2.4842	2.4844		1.7945	3.5926
H8	2.1604	1.0930	2.6710	2.0135	2.5107	3.0615	1.7945		2.9054
H9	1.9372	2.5854	0.9627	2.5043	2.8183	2.3442	3.5926	2.9054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.763	C1	C2	H7	111.577
C1	C2	H8	111.326	C1	O3	H9	108.021
C2	C1	O3	112.361	C2	C1	H5	108.992
C2	C1	H6	109.356	O3	C1	H5	106.761
O3	C1	H6	111.344

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.137
2	C	-0.047
3	O	-0.506
4	F	-0.331
5	H	0.169
6	H	0.160
7	H	0.158
8	H	0.172
9	H	0.361

	x	y	z	Total
	-0.518	1.478	0.318	1.599
CHELPG
AIM
ESP

	x	y	z
x	4.599	-0.110	0.029
y	-0.110	4.605	0.047
z	0.029	0.047	4.239

<r²>	81.338
(<r²>)^1/2	9.019

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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