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	hartrees
Energy at 0K	-252.900888
Energy at 298.15K
HF Energy	-252.900888
Nuclear repulsion energy	129.527117

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	4058	3654	48.09	64.05	0.30	0.46
2	A	3376	3040	38.65	44.56	0.75	0.86
3	A	3337	3004	47.08	80.17	0.31	0.47
4	A	3301	2972	31.16	122.80	0.13	0.24
5	A	3251	2927	56.04	108.09	0.14	0.24
6	A	1648	1483	1.56	3.10	0.75	0.86
7	A	1645	1481	8.18	12.63	0.75	0.86
8	A	1556	1401	20.87	1.55	0.75	0.86
9	A	1535	1382	10.96	1.21	0.74	0.85
10	A	1474	1327	15.47	15.95	0.75	0.86
11	A	1351	1216	20.25	10.75	0.65	0.79
12	A	1304	1174	19.37	7.32	0.71	0.83
13	A	1211	1090	1.01	4.47	0.25	0.40
14	A	1191	1073	102.55	9.62	0.70	0.82
15	A	1095	986	83.67	2.83	0.73	0.84
16	A	968	872	21.95	11.24	0.34	0.50
17	A	912	821	66.00	9.43	0.20	0.34
18	A	543	489	16.22	1.68	0.75	0.86
19	A	407	366	230.36	4.30	0.74	0.85
20	A	334	301	30.15	0.50	0.47	0.64
21	A	148	133	18.88	0.12	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	0.579	0.305
C2	-0.712	0.572	-0.300
O3	1.473	-0.500	-0.196
F4	-1.389	-0.610	0.162
H5	1.192	1.484	0.025
H6	0.606	0.536	1.385
H7	-1.305	1.414	0.022
H8	-0.683	0.506	-1.376
H9	1.127	-1.359	0.028

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5140	1.4322	2.3865	1.0787	1.0836	2.1683	2.1622	2.0092
C2	1.5140		2.4369	1.4385	2.1358	2.1405	1.0788	1.0776	2.6873
O3	1.4322	2.4369		2.8869	2.0155	2.0801	3.3812	2.6561	0.9535
F4	2.3865	1.4385	2.8869		3.3259	2.6062	2.0307	2.0265	2.6283
H5	1.0787	2.1358	2.0155	3.3259		1.7581	2.4980	2.5362	2.8437
H6	1.0836	2.1405	2.0801	2.6062	1.7581		2.5068	3.0474	2.3893
H7	2.1683	1.0788	3.3812	2.0307	2.4980	2.5068		1.7787	3.6888
H8	2.1622	1.0776	2.6561	2.0265	2.5362	3.0474	1.7787		2.9537
H9	2.0092	2.6873	0.9535	2.6283	2.8437	2.3893	3.6888	2.9537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.828	C1	C2	H7	112.411
C1	C2	H8	111.984	C1	O3	H9	113.216
C2	C1	O3	111.582	C2	C1	H5	109.780
C2	C1	H6	109.870	O3	C1	H5	105.915
O3	C1	H6	110.791

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

using model chemistry: HF/SDD

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	-0.106
2	C	0.008
3	O	-0.631
4	F	-0.411
5	H	0.186
6	H	0.182
7	H	0.173
8	H	0.194
9	H	0.404

	x	y	z	Total
	-0.514	2.069	0.365	2.163
CHELPG
AIM
ESP

	x	y	z
x	3.314	0.001	-0.124
y	0.001	3.752	-0.022
z	-0.124	-0.022	3.059

<r²>	82.791
(<r²>)^1/2	9.099

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

using model chemistry: HF/SDD

States and conformations

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