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	hartrees
Energy at 0K	-253.053856
Energy at 298.15K
HF Energy	-253.053856
Nuclear repulsion energy	132.072951

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	4158	3777	68.48	47.50	0.20	0.34
2	A	3251	2953	48.70	42.85	0.73	0.84
3	A	3224	2929	52.76	95.01	0.21	0.35
4	A	3196	2904	22.78	111.58	0.16	0.27
5	A	3154	2865	47.40	114.45	0.16	0.28
6	A	1630	1481	2.63	2.17	0.75	0.86
7	A	1622	1474	3.74	5.91	0.75	0.86
8	A	1571	1428	27.19	1.91	0.08	0.15
9	A	1532	1392	24.38	0.41	0.68	0.81
10	A	1498	1360	13.47	4.62	0.71	0.83
11	A	1386	1259	12.51	4.58	0.67	0.80
12	A	1319	1198	22.78	2.47	0.75	0.85
13	A	1235	1122	38.92	3.89	0.37	0.54
14	A	1203	1093	78.79	2.68	0.68	0.81
15	A	1158	1052	94.66	2.42	0.69	0.82
16	A	971	882	16.37	4.47	0.31	0.47
17	A	931	846	37.88	5.67	0.22	0.36
18	A	559	508	14.01	0.67	0.72	0.84
19	A	390	354	90.55	0.92	0.71	0.83
20	A	328	298	56.24	0.50	0.51	0.67
21	A	165	150	11.13	0.06	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	0.564	0.281
C2	-0.722	0.539	-0.277
O3	1.456	-0.491	-0.191
F4	-1.360	-0.593	0.155
H5	1.161	1.480	-0.031
H6	0.633	0.563	1.366
H7	-1.291	1.394	0.064
H8	-0.710	0.515	-1.358
H9	1.073	-1.309	0.069

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5071	1.3937	2.3468	1.0819	1.0862	2.1472	2.1476	1.9260
C2	1.5071		2.4109	1.3695	2.1197	2.1300	1.0820	1.0809	2.5995
O3	1.3937	2.4109		2.8392	1.9999	2.0527	3.3411	2.6574	0.9398
F4	2.3468	1.3695	2.8392		3.2696	2.6026	1.9901	1.9846	2.5379
H5	1.0819	2.1197	1.9999	3.2696		1.7534	2.4554	2.4884	2.7925
H6	1.0862	2.1300	2.0527	2.6026	1.7534		2.4672	3.0371	2.3191
H7	2.1472	1.0820	3.3411	1.9901	2.4554	2.4672		1.7698	3.5907
H8	2.1476	1.0809	2.6574	1.9846	2.4884	3.0371	1.7698		2.9223
H9	1.9260	2.5995	0.9398	2.5379	2.7925	2.3191	3.5907	2.9223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.247	C1	C2	H7	110.996
C1	C2	H8	111.094	C1	O3	H9	109.724
C2	C1	O3	112.367	C2	C1	H5	108.801
C2	C1	H6	109.362	O3	C1	H5	107.094
O3	C1	H6	111.132

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

using model chemistry: HF/cc-pVQZ

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	0.148
2	C	0.259
3	O	-0.477
4	F	-0.351
5	H	0.071
6	H	0.028
7	H	0.028
8	H	0.040
9	H	0.253

	x	y	z	Total
	-0.426	1.377	0.323	1.477
CHELPG
AIM
ESP

	x	y	z
x	4.375	-0.093	0.024
y	-0.093	4.450	0.018
z	0.024	0.018	4.062

<r²>	80.188
(<r²>)^1/2	8.955

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

using model chemistry: HF/cc-pVQZ

States and conformations

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