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	hartrees
Energy at 0K	-250.697143
Energy at 298.15K
HF Energy	-250.697143
Nuclear repulsion energy	129.446889

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	3254	3011	12.44	34.32	0.75	0.85
2	A	3207	2967	64.15	19.37	0.32	0.48
3	A	3195	2956	34.67	45.61	0.37	0.54
4	A	3141	2906	23.30	36.40	0.21	0.35
5	A	3096	2864	38.47	50.29	0.11	0.20
6	A	1754	1622	86.22	8.26	0.49	0.66
7	A	1637	1514	1.74	15.80	0.73	0.84
8	A	1595	1475	1.30	11.79	0.75	0.86
9	A	1383	1280	1.66	4.99	0.66	0.80
10	A	1358	1257	4.18	3.48	0.75	0.86
11	A	1248	1154	3.90	11.64	0.75	0.86
12	A	1230	1138	2.66	9.71	0.75	0.86
13	A	1141	1056	0.52	0.44	0.40	0.58
14	A	1112	1028	5.27	1.34	0.40	0.57
15	A	1052	973	19.72	2.11	0.41	0.59
16	A	897	830	1.64	9.21	0.27	0.43
17	A	847	784	1.62	0.59	0.70	0.83
18	A	684	633	45.56	2.69	0.73	0.84
19	A	637	590	1.97	3.28	0.74	0.85
20	A	479	443	12.43	0.36	0.45	0.62
21	A	72	66	0.84	0.05	0.69	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.817	0.690	0.069
C2	-0.792	0.689	-0.072
O3	1.274	-0.709	-0.060
F4	-1.177	-0.699	0.054
H5	1.269	1.337	-0.728
H6	1.095	1.139	1.064
H7	-1.292	1.289	0.734
H8	-1.124	1.072	-1.074
H9	0.307	-1.156	0.021

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.6149	1.4770	2.4297	1.1221	1.1268	2.2913	2.2847	1.9153
C2	1.6149		2.4950	1.4461	2.2580	2.2482	1.1225	1.1231	2.1498
O3	1.4770	2.4950		2.4542	2.1522	2.1703	3.3483	3.1547	1.0690
F4	2.4297	1.4461	2.4542		3.2773	3.0922	2.1046	2.1004	1.5531
H5	1.1221	2.2580	2.1522	3.2773		1.8114	2.9497	2.4325	2.7755
H6	1.1268	2.2482	2.1703	3.0922	1.8114		2.4148	3.0825	2.6412
H7	2.2913	1.1225	3.3483	2.1046	2.9497	2.4148		1.8292	3.0075
H8	2.2847	1.1231	3.1547	2.1004	2.4325	3.0825	1.8292		2.8656
H9	1.9153	2.1498	1.0690	1.5531	2.7755	2.6412	3.0075	2.8656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	104.939	C1	C2	H7	112.406
C1	C2	H8	111.856	C1	O3	H9	96.255
C2	C1	O3	107.513	C2	C1	H5	109.859
C2	C1	H6	108.863	O3	C1	H5	111.064
O3	C1	H6	112.223

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

using model chemistry: BLYP/STO-3G

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	-0.068
2	C	-0.051
3	O	-0.253
4	F	-0.052
5	H	0.064
6	H	0.057
7	H	0.079
8	H	0.079
9	H	0.145

	x	y	z	Total
	-1.775	1.196	0.055	2.141
CHELPG
AIM
ESP

	x	y	z
x	2.522	0.022	-0.012
y	0.022	2.697	0.016
z	-0.012	0.016	1.708

<r²>	77.746
(<r²>)^1/2	8.817

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

using model chemistry: BLYP/STO-3G

States and conformations

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