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	hartrees
Energy at 0K	-254.194725
Energy at 298.15K
HF Energy	-254.194725
Nuclear repulsion energy	130.029915

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	3684	3684	11.44	59.30	0.26	0.41
2	A	3047	3047	60.87	60.34	0.70	0.82
3	A	3032	3032	43.44	99.40	0.35	0.52
4	A	2984	2984	44.14	126.94	0.14	0.25
5	A	2928	2928	65.77	133.92	0.22	0.36
6	A	1480	1480	3.42	4.52	0.75	0.86
7	A	1474	1474	3.11	11.29	0.75	0.85
8	A	1417	1417	46.79	6.86	0.60	0.75
9	A	1394	1394	14.24	6.25	0.70	0.82
10	A	1371	1371	0.55	7.02	0.73	0.84
11	A	1248	1248	9.79	10.39	0.72	0.84
12	A	1212	1212	19.32	6.49	0.75	0.86
13	A	1109	1109	0.53	1.64	0.48	0.65
14	A	1060	1060	95.45	3.24	0.75	0.85
15	A	1012	1012	57.45	2.26	0.67	0.80
16	A	876	876	20.81	4.80	0.45	0.62
17	A	841	841	40.96	4.99	0.40	0.57
18	A	509	509	9.74	1.31	0.74	0.85
19	A	433	433	136.76	3.07	0.75	0.85
20	A	317	317	16.26	0.45	0.61	0.76
21	A	158	158	11.30	0.04	0.38	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	0.577	0.287
C2	-0.716	0.566	-0.285
O3	1.464	-0.516	-0.188
F4	-1.372	-0.604	0.159
H5	1.206	1.491	-0.030
H6	0.629	0.581	1.390
H7	-1.305	1.430	0.054
H8	-0.693	0.527	-1.382
H9	0.973	-1.320	0.038

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5159	1.4230	2.3775	1.0978	1.1048	2.1803	2.1663	1.9340
C2	1.5159		2.4366	1.4130	2.1485	2.1485	1.0992	1.0977	2.5521
O3	1.4230	2.4366		2.8594	2.0301	2.0965	3.3941	2.6771	0.9687
F4	2.3775	1.4130	2.8594		3.3274	2.6312	2.0376	2.0286	2.4548
H5	1.0978	2.1485	2.0301	3.3274		1.7825	2.5137	2.5226	2.8212
H6	1.1048	2.1485	2.0965	2.6312	1.7825		2.4993	3.0715	2.3583
H7	2.1803	1.0992	3.3941	2.0376	2.5137	2.4993		1.8035	3.5708
H8	2.1663	1.0977	2.6771	2.0286	2.5226	3.0715	1.8035		2.8633
H9	1.9340	2.5521	0.9687	2.4548	2.8212	2.3583	3.5708	2.8633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.481	C1	C2	H7	111.981
C1	C2	H8	110.950	C1	O3	H9	106.371
C2	C1	O3	111.974	C2	C1	H5	109.541
C2	C1	H6	109.130	O3	C1	H5	106.576
O3	C1	H6	111.456

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

using model chemistry: B97D3/6-311G*

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	-0.213
2	C	-0.111
3	O	-0.535
4	F	-0.279
5	H	0.199
6	H	0.186
7	H	0.182
8	H	0.191
9	H	0.380

	x	y	z	Total
	-0.559	1.218	0.257	1.365
CHELPG
AIM
ESP

	x	y	z
x	4.335	-0.124	0.044
y	-0.124	4.440	0.044
z	0.044	0.044	3.951

<r²>	81.620
(<r²>)^1/2	9.034

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

using model chemistry: B97D3/6-311G*

States and conformations

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