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	hartrees
Energy at 0K	-254.112309
Energy at 298.15K	-254.106694
HF Energy	-254.261765
Nuclear repulsion energy	130.985124

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	3729	3581	22.32	55.92	0.26	0.41
2	A	3114	2990	51.55	52.66	0.68	0.81
3	A	3103	2980	33.22	87.43	0.36	0.53
4	A	3058	2936	32.44	101.89	0.15	0.27
5	A	3003	2884	52.75	107.49	0.23	0.37
6	A	1534	1473	2.23	5.91	0.73	0.84
7	A	1526	1465	1.57	13.93	0.74	0.85
8	A	1454	1397	43.30	6.36	0.66	0.79
9	A	1431	1374	26.85	4.55	0.74	0.85
10	A	1404	1348	3.87	10.99	0.75	0.86
11	A	1275	1224	8.53	11.81	0.72	0.84
12	A	1237	1188	18.33	7.58	0.75	0.86
13	A	1148	1103	6.06	2.13	0.34	0.51
14	A	1103	1059	91.24	4.18	0.74	0.85
15	A	1067	1024	55.59	1.83	0.61	0.76
16	A	907	871	13.69	6.08	0.38	0.55
17	A	877	842	32.33	5.00	0.42	0.59
18	A	525	504	9.73	1.15	0.74	0.85
19	A	445	428	134.59	3.42	0.74	0.85
20	A	321	308	10.26	0.28	0.61	0.76
21	A	161	155	11.77	0.03	0.39	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.587	0.275
C2	-0.721	0.572	-0.275
O3	1.431	-0.529	-0.186
F4	-1.333	-0.611	0.159
H5	1.217	1.486	-0.066
H6	0.648	0.618	1.376
H7	-1.312	1.423	0.086
H8	-0.714	0.564	-1.370
H9	0.897	-1.311	0.032

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5158	1.4165	2.3558	1.0954	1.1023	2.1791	2.1640	1.9249
C2	1.5158		2.4192	1.4009	2.1530	2.1452	1.0968	1.0958	2.5015
O3	1.4165	2.4192		2.7870	2.0300	2.0901	3.3778	2.6831	0.9714
F4	2.3558	1.4009	2.7870		3.3095	2.6304	2.0351	2.0255	2.3409
H5	1.0954	2.1530	2.0300	3.3095		1.7768	2.5347	2.5061	2.8168
H6	1.1023	2.1452	2.0901	2.6304	1.7768		2.4811	3.0662	2.3643
H7	2.1791	1.0968	3.3778	2.0351	2.5347	2.4811		1.7933	3.5151
H8	2.1640	1.0958	2.6831	2.0255	2.5061	3.0662	1.7933		2.8417
H9	1.9249	2.5015	0.9714	2.3409	2.8168	2.3643	3.5151	2.8417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.691	C1	C2	H7	112.018
C1	C2	H8	110.914	C1	O3	H9	105.899
C2	C1	O3	111.167	C2	C1	H5	109.925
C2	C1	H6	109.121	O3	C1	H5	107.099
O3	C1	H6	111.554

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

using model chemistry: G3B3

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	-0.054
2	C	0.026
3	O	-0.612
4	F	-0.323
5	H	0.150
6	H	0.135
7	H	0.134
8	H	0.147
9	H	0.397

	x	y	z	Total
	-0.721	1.241	0.234	1.454
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	79.892
(<r²>)^1/2	8.938

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

using model chemistry: G3B3

States and conformations

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