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	hartrees
Energy at 0K	-254.197973
Energy at 298.15K
HF Energy	-254.197973
Nuclear repulsion energy	129.840876

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	3633	3605	13.56	58.43	0.23	0.37
2	A	3015	2992	53.88	57.16	0.60	0.75
3	A	3007	2984	34.13	91.31	0.40	0.57
4	A	2958	2935	37.25	110.08	0.14	0.25
5	A	2903	2881	57.16	114.77	0.23	0.37
6	A	1476	1464	2.26	5.61	0.72	0.84
7	A	1469	1458	1.63	15.05	0.73	0.84
8	A	1401	1390	49.44	8.54	0.69	0.82
9	A	1380	1369	19.26	6.32	0.73	0.85
10	A	1355	1345	0.89	10.20	0.75	0.86
11	A	1227	1218	7.40	12.37	0.73	0.84
12	A	1195	1186	17.36	8.39	0.75	0.86
13	A	1105	1097	1.21	1.93	0.35	0.52
14	A	1041	1033	89.47	3.74	0.73	0.84
15	A	1012	1004	45.40	1.83	0.52	0.68
16	A	870	863	15.96	6.04	0.41	0.59
17	A	840	834	31.25	5.59	0.40	0.57
18	A	509	505	7.24	1.38	0.74	0.85
19	A	451	447	123.40	3.87	0.75	0.86
20	A	312	310	6.50	0.27	0.63	0.77
21	A	158	157	11.09	0.03	0.37	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	0.594	0.276
C2	-0.725	0.581	-0.277
O3	1.442	-0.540	-0.185
F4	-1.343	-0.618	0.160
H5	1.229	1.495	-0.073
H6	0.654	0.634	1.385
H7	-1.319	1.437	0.089
H8	-0.720	0.576	-1.380
H9	0.876	-1.311	0.023

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5261	1.4326	2.3766	1.1027	1.1101	2.1940	2.1802	1.9302
C2	1.5261		2.4410	1.4189	2.1662	2.1598	1.1045	1.1034	2.4968
O3	1.4326	2.4410		2.8075	2.0486	2.1128	3.4069	2.7099	0.9791
F4	2.3766	1.4189	2.8075		3.3371	2.6565	2.0570	2.0465	2.3289
H5	1.1027	2.1662	2.0486	3.3371		1.7881	2.5540	2.5201	2.8297
H6	1.1101	2.1598	2.1128	2.6565	1.7881		2.4936	3.0881	2.3848
H7	2.1940	1.1045	3.4069	2.0570	2.5540	2.4936		1.8059	3.5181
H8	2.1802	1.1034	2.7099	2.0465	2.5201	3.0881	1.8059		2.8418
H9	1.9302	2.4968	0.9791	2.3289	2.8297	2.3848	3.5181	2.8418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.552	C1	C2	H7	112.033
C1	C2	H8	111.000	C1	O3	H9	104.757
C2	C1	O3	111.144	C2	C1	H5	109.937
C2	C1	H6	109.010	O3	C1	H5	107.092
O3	C1	H6	111.763

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

using model chemistry: BLYP/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	0.045
2	C	0.110
3	O	-0.501
4	F	-0.301
5	H	0.095
6	H	0.083
7	H	0.080
8	H	0.094
9	H	0.294

	x	y	z	Total
	-0.703	1.190	0.190	1.395
CHELPG
AIM
ESP

	x	y	z
x	4.232	-0.122	-0.014
y	-0.122	4.428	0.048
z	-0.014	0.048	3.812

<r²>	80.977
(<r²>)^1/2	8.999

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

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

States and conformations

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