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	hartrees
Energy at 0K	-254.013887
Energy at 298.15K
HF Energy	-253.814741
Nuclear repulsion energy	131.234435

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	3759	3568	28.16	52.51	0.26	0.41
2	A	3162	3001	45.74	50.53	0.72	0.84
3	A	3145	2985	30.28	81.21	0.39	0.56
4	A	3099	2942	29.62	99.80	0.15	0.26
5	A	3049	2894	48.05	101.59	0.21	0.35
6	A	1556	1477	1.92	5.77	0.73	0.84
7	A	1548	1469	1.39	13.58	0.74	0.85
8	A	1471	1397	40.53	5.60	0.63	0.77
9	A	1445	1372	27.59	3.82	0.74	0.85
10	A	1417	1345	4.89	10.72	0.75	0.86
11	A	1288	1222	8.68	11.47	0.72	0.83
12	A	1250	1186	17.44	7.40	0.75	0.86
13	A	1161	1102	3.55	2.26	0.32	0.49
14	A	1119	1062	89.79	4.79	0.72	0.84
15	A	1076	1021	53.93	1.92	0.63	0.78
16	A	920	873	14.84	6.59	0.34	0.51
17	A	889	844	34.00	4.61	0.42	0.59
18	A	531	504	10.96	1.11	0.74	0.85
19	A	447	424	138.88	3.23	0.74	0.85
20	A	325	309	11.17	0.27	0.59	0.74
21	A	166	158	12.04	0.03	0.37	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	0.589	0.276
C2	-0.718	0.575	-0.276
O3	1.423	-0.531	-0.187
F4	-1.326	-0.612	0.159
H5	1.218	1.482	-0.065
H6	0.645	0.616	1.375
H7	-1.313	1.420	0.083
H8	-0.709	0.562	-1.369
H9	0.885	-1.308	0.033

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5117	1.4171	2.3489	1.0929	1.0993	2.1761	2.1588	1.9225
C2	1.5117		2.4116	1.4024	2.1491	2.1411	1.0940	1.0929	2.4920
O3	1.4171	2.4116		2.7727	2.0272	2.0877	3.3713	2.6714	0.9704
F4	2.3489	1.4024	2.7727		3.3032	2.6214	2.0327	2.0233	2.3221
H5	1.0929	2.1491	2.0272	3.3032		1.7749	2.5366	2.5022	2.8116
H6	1.0993	2.1411	2.0877	2.6214	1.7749		2.4797	3.0596	2.3576
H7	2.1761	1.0940	3.3713	2.0327	2.5366	2.4797		1.7913	3.5034
H8	2.1588	1.0929	2.6714	2.0233	2.5022	3.0596	1.7913		2.8287
H9	1.9225	2.4920	0.9704	2.3221	2.8116	2.3576	3.5034	2.8287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.364	C1	C2	H7	112.270
C1	C2	H8	110.939	C1	O3	H9	105.742
C2	C1	O3	110.817	C2	C1	H5	110.160
C2	C1	H6	109.161	O3	C1	H5	107.025
O3	C1	H6	111.503

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

using model chemistry: B2PLYP/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	-0.059
2	C	0.026
3	O	-0.637
4	F	-0.340
5	H	0.158
6	H	0.144
7	H	0.143
8	H	0.156
9	H	0.410

	x	y	z	Total
	-0.751	1.324	0.243	1.541
CHELPG
AIM
ESP

	x	y	z
x	3.871	-0.081	-0.037
y	-0.081	4.122	0.035
z	-0.037	0.035	3.602

<r²>	79.576
(<r²>)^1/2	8.921

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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