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	hartrees
Energy at 0K	-254.090049
Energy at 298.15K
HF Energy	-254.090049
Nuclear repulsion energy	130.272649

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	3708	3708	25.12	65.04	0.28	0.44
2	A	3195	3195	28.38	51.35	0.75	0.86
3	A	3176	3176	17.69	84.81	0.39	0.56
4	A	3126	3126	17.75	101.38	0.15	0.25
5	A	3079	3079	34.05	112.39	0.19	0.32
6	A	1550	1550	3.75	11.04	0.75	0.85
7	A	1547	1547	2.42	12.44	0.73	0.84
8	A	1444	1444	19.12	5.39	0.69	0.82
9	A	1438	1438	5.86	1.83	0.73	0.84
10	A	1399	1399	18.55	16.73	0.75	0.86
11	A	1269	1269	13.26	12.16	0.70	0.82
12	A	1240	1240	14.53	10.17	0.75	0.86
13	A	1146	1146	1.65	3.17	0.42	0.59
14	A	1115	1115	71.01	7.19	0.71	0.83
15	A	1054	1054	55.83	1.53	0.65	0.79
16	A	922	922	20.57	8.98	0.29	0.45
17	A	889	889	34.13	4.75	0.44	0.61
18	A	523	523	15.17	1.70	0.75	0.85
19	A	437	437	201.22	5.23	0.74	0.85
20	A	320	320	12.42	0.30	0.59	0.75
21	A	162	162	16.43	0.05	0.49	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.604	0.286
C2	-0.713	0.596	-0.284
O3	1.415	-0.539	-0.190
F4	-1.324	-0.626	0.162
H5	1.233	1.485	-0.046
H6	0.634	0.614	1.382
H7	-1.323	1.428	0.070
H8	-0.694	0.567	-1.375
H9	0.913	-1.349	0.020

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5087	1.4381	2.3581	1.0902	1.0965	2.1802	2.1582	1.9848
C2	1.5087		2.4135	1.4382	2.1525	2.1420	1.0909	1.0908	2.5538
O3	1.4381	2.4135		2.7632	2.0370	2.1001	3.3814	2.6593	0.9765
F4	2.3581	1.4382	2.7632		3.3228	2.6185	2.0563	2.0453	2.3554
H5	1.0902	2.1525	2.0370	3.3228		1.7768	2.5597	2.5142	2.8532
H6	1.0965	2.1420	2.1001	2.6185	1.7768		2.4921	3.0595	2.4053
H7	2.1802	1.0909	3.3814	2.0563	2.5597	2.4921		1.7962	3.5661
H8	2.1582	1.0908	2.6593	2.0453	2.5142	3.0595	1.7962		2.8634
H9	1.9848	2.5538	0.9765	2.3554	2.8532	2.4053	3.5661	2.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	106.277	C1	C2	H7	113.020
C1	C2	H8	111.232	C1	O3	H9	109.074
C2	C1	O3	109.955	C2	C1	H5	110.810
C2	C1	H6	109.603	O3	C1	H5	106.546
O3	C1	H6	111.189

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

using model chemistry: M06-2X/6-31G

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	-0.072
2	C	0.011
3	O	-0.637
4	F	-0.379
5	H	0.181
6	H	0.164
7	H	0.163
8	H	0.180
9	H	0.388

	x	y	z	Total
	-0.843	1.798	0.307	2.009
CHELPG
AIM
ESP

	x	y	z
x	3.618	-0.048	-0.095
y	-0.048	4.065	0.024
z	-0.095	0.024	3.369

<r²>	80.283
(<r²>)^1/2	8.960

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

using model chemistry: M06-2X/6-31G

States and conformations

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