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	hartrees
Energy at 0K	-254.196521
Energy at 298.15K
HF Energy	-254.196521
Nuclear repulsion energy	131.197881

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	3877	3708	46.79	52.08	0.19	0.31
2	A	3158	3021	29.75	56.11	0.75	0.86
3	A	3132	2996	25.69	89.85	0.37	0.54
4	A	3091	2957	24.95	122.86	0.13	0.22
5	A	3044	2912	43.21	128.41	0.16	0.28
6	A	1500	1435	2.41	3.48	0.73	0.85
7	A	1495	1431	5.99	10.78	0.75	0.86
8	A	1437	1374	28.66	3.90	0.46	0.63
9	A	1399	1339	21.95	2.52	0.75	0.86
10	A	1377	1317	2.01	7.29	0.72	0.84
11	A	1268	1213	8.74	7.41	0.71	0.83
12	A	1221	1168	10.54	4.53	0.72	0.84
13	A	1146	1096	55.30	3.45	0.30	0.46
14	A	1113	1064	59.57	2.05	0.75	0.86
15	A	1065	1019	82.97	3.11	0.57	0.73
16	A	907	868	13.51	5.83	0.33	0.50
17	A	870	832	35.40	3.94	0.44	0.61
18	A	518	495	11.59	0.83	0.74	0.85
19	A	395	377	123.67	0.84	0.74	0.85
20	A	311	298	27.72	0.29	0.46	0.63
21	A	137	131	14.30	0.06	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.576	0.280
C2	-0.715	0.564	-0.278
O3	1.443	-0.512	-0.189
F4	-1.350	-0.604	0.156
H5	1.193	1.485	-0.045
H6	0.637	0.587	1.377
H7	-1.303	1.414	0.078
H8	-0.708	0.538	-1.369
H9	0.979	-1.321	0.052

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5056	1.4077	2.3541	1.0923	1.0976	2.1651	2.1580	1.9330
C2	1.5056		2.4134	1.3988	2.1319	2.1374	1.0926	1.0919	2.5558
O3	1.4077	2.4134		2.8161	2.0178	2.0762	3.3647	2.6685	0.9627
F4	2.3541	1.3988	2.8161		3.2978	2.6193	2.0202	2.0111	2.4394
H5	1.0923	2.1319	2.0178	3.2978		1.7714	2.5004	2.5029	2.8154
H6	1.0976	2.1374	2.0762	2.6193	1.7714		2.4773	3.0585	2.3481
H7	2.1651	1.0926	3.3647	2.0202	2.5004	2.4773		1.7932	3.5619
H8	2.1580	1.0919	2.6685	2.0111	2.5029	3.0585	1.7932		2.8842
H9	1.9330	2.5558	0.9627	2.4394	2.8154	2.3481	3.5619	2.8842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.241	C1	C2	H7	111.895
C1	C2	H8	111.368	C1	O3	H9	107.790
C2	C1	O3	111.823	C2	C1	H5	109.261
C2	C1	H6	109.383	O3	C1	H5	106.950
O3	C1	H6	111.333

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

using model chemistry: B1B95/6-31+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	-0.109
2	C	-0.022
3	O	-0.513
4	F	-0.341
5	H	0.160
6	H	0.152
7	H	0.150
8	H	0.164
9	H	0.359

	x	y	z	Total
	-0.567	1.534	0.297	1.662
CHELPG
AIM
ESP

	x	y	z
x	4.590	-0.110	0.032
y	-0.110	4.611	0.051
z	0.032	0.051	4.242

<r²>	80.506
(<r²>)^1/2	8.973

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

using model chemistry: B1B95/6-31+G**

States and conformations

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