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	hartrees
Energy at 0K	-252.990380
Energy at 298.15K
HF Energy	-252.990380
Nuclear repulsion energy	132.195879

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	4159	3761	42.65	51.04	0.31	0.48
2	A	3295	2980	63.05	50.74	0.73	0.84
3	A	3265	2953	61.24	90.86	0.25	0.41
4	A	3236	2927	29.59	103.93	0.21	0.34
5	A	3182	2878	61.76	107.70	0.22	0.36
6	A	1649	1491	2.71	3.80	0.72	0.84
7	A	1638	1481	2.67	10.07	0.75	0.86
8	A	1589	1437	41.43	2.59	0.27	0.42
9	A	1548	1400	36.72	2.38	0.72	0.84
10	A	1517	1372	10.55	9.01	0.75	0.86
11	A	1395	1261	12.39	9.25	0.70	0.82
12	A	1330	1203	30.18	4.63	0.72	0.83
13	A	1240	1122	28.94	4.25	0.53	0.69
14	A	1210	1095	88.60	3.42	0.74	0.85
15	A	1161	1050	85.98	2.47	0.75	0.85
16	A	974	881	17.52	5.33	0.36	0.53
17	A	939	849	48.08	5.63	0.31	0.48
18	A	561	508	15.74	0.95	0.74	0.85
19	A	425	384	151.72	2.31	0.74	0.85
20	A	335	303	35.63	0.49	0.59	0.74
21	A	168	152	12.99	0.04	0.40	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.572	0.279
C2	-0.721	0.550	-0.276
O3	1.439	-0.500	-0.192
F4	-1.344	-0.598	0.156
H5	1.181	1.477	-0.038
H6	0.637	0.573	1.366
H7	-1.304	1.393	0.071
H8	-0.712	0.525	-1.357
H9	1.032	-1.308	0.067

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5072	1.3954	2.3409	1.0825	1.0879	2.1575	2.1485	1.9244
C2	1.5072		2.4031	1.3755	2.1297	2.1312	1.0825	1.0813	2.5776
O3	1.3954	2.4031		2.8061	2.0003	2.0550	3.3434	2.6521	0.9405
F4	2.3409	1.3755	2.8061		3.2743	2.6002	1.9936	1.9874	2.4817
H5	1.0825	2.1297	2.0003	3.2743		1.7566	2.4891	2.4960	2.7914
H6	1.0879	2.1312	2.0550	2.6002	1.7566		2.4735	3.0393	2.3203
H7	2.1575	1.0825	3.3434	1.9936	2.4891	2.4735		1.7731	3.5716
H8	2.1485	1.0813	2.6521	1.9874	2.4960	3.0393	1.7731		2.9034
H9	1.9244	2.5776	0.9405	2.4817	2.7914	2.3203	3.5716	2.9034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.509	C1	C2	H7	111.788
C1	C2	H8	111.138	C1	O3	H9	109.387
C2	C1	O3	111.710	C2	C1	H5	109.554
C2	C1	H6	109.356	O3	C1	H5	106.975
O3	C1	H6	111.087

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

using model chemistry: HF/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	-0.161
2	C	-0.035
3	O	-0.655
4	F	-0.365
5	H	0.207
6	H	0.193
7	H	0.192
8	H	0.200
9	H	0.425

	x	y	z	Total
	-0.561	1.435	0.369	1.585
CHELPG
AIM
ESP

	x	y	z
x	3.627	-0.064	-0.007
y	-0.064	3.908	0.010
z	-0.007	0.010	3.511

<r²>	79.694
(<r²>)^1/2	8.927

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

using model chemistry: HF/6-311G*

States and conformations

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