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	hartrees
Energy at 0K	-254.022803
Energy at 298.15K
HF Energy	-254.022803
Nuclear repulsion energy	131.786030

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	3857	3681	32.31	53.14	0.24	0.39
2	A	3132	2989	44.80	53.35	0.73	0.85
3	A	3117	2975	30.00	85.86	0.37	0.54
4	A	3069	2929	30.08	104.03	0.14	0.25
5	A	3016	2878	50.52	112.36	0.20	0.34
6	A	1516	1447	2.62	4.64	0.72	0.84
7	A	1509	1440	2.72	14.04	0.74	0.85
8	A	1451	1385	42.26	5.51	0.64	0.78
9	A	1420	1355	27.25	5.57	0.74	0.85
10	A	1396	1332	2.00	9.07	0.75	0.86
11	A	1277	1218	7.99	11.17	0.72	0.83
12	A	1240	1183	13.74	7.60	0.75	0.86
13	A	1159	1106	38.09	2.61	0.38	0.55
14	A	1123	1072	67.73	3.43	0.75	0.86
15	A	1089	1040	63.02	1.71	0.59	0.75
16	A	918	876	12.97	6.65	0.35	0.51
17	A	885	844	28.49	3.91	0.50	0.67
18	A	528	504	9.92	1.02	0.74	0.85
19	A	447	426	134.89	3.01	0.74	0.85
20	A	323	308	9.84	0.25	0.61	0.76
21	A	161	153	12.22	0.03	0.37	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.690	0.585	0.270
C2	-0.717	0.570	-0.271
O3	1.416	-0.531	-0.183
F4	-1.321	-0.609	0.159
H5	1.212	1.483	-0.077
H6	0.651	0.627	1.371
H7	-1.306	1.420	0.091
H8	-0.712	0.566	-1.367
H9	0.874	-1.301	0.025

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5084	1.4058	2.3411	1.0951	1.1020	2.1720	2.1557	1.9099
C2	1.5084		2.4023	1.3916	2.1431	2.1379	1.0962	1.0956	2.4737
O3	1.4058	2.4023		2.7593	2.0266	2.0834	3.3607	2.6706	0.9644
F4	2.3411	1.3916	2.7593		3.2928	2.6235	2.0299	2.0186	2.3054
H5	1.0951	2.1431	2.0266	3.2928		1.7730	2.5245	2.4910	2.8057
H6	1.1020	2.1379	2.0834	2.6235	1.7730		2.4691	3.0585	2.3612
H7	2.1720	1.0962	3.3607	2.0299	2.5245	2.4691		1.7914	3.4875
H8	2.1557	1.0956	2.6706	2.0186	2.4910	3.0585	1.7914		2.8173
H9	1.9099	2.4737	0.9644	2.3054	2.8057	2.3612	3.4875	2.8173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.591	C1	C2	H7	112.035
C1	C2	H8	110.755	C1	O3	H9	105.870
C2	C1	O3	110.996	C2	C1	H5	109.787
C2	C1	H6	108.977	O3	C1	H5	107.615
O3	C1	H6	111.786

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

using model chemistry: HSEh1PBE/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	-0.020
2	C	0.063
3	O	-0.545
4	F	-0.327
5	H	0.135
6	H	0.121
7	H	0.117
8	H	0.131
9	H	0.325

	x	y	z	Total
	-0.733	1.246	0.213	1.461
CHELPG
AIM
ESP

	x	y	z
x	3.977	-0.094	-0.011
y	-0.094	4.191	0.047
z	-0.011	0.047	3.702

<r²>	78.929
(<r²>)^1/2	8.884

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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