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	hartrees
Energy at 0K	-254.153187
Energy at 298.15K
HF Energy	-254.153187
Nuclear repulsion energy	129.266247

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	3741	3677	30.98	57.97	0.18	0.30
2	A	3070	3017	38.91	60.91	0.73	0.85
3	A	3044	2991	32.02	99.24	0.38	0.55
4	A	3002	2950	33.76	140.20	0.12	0.22
5	A	2957	2906	51.32	138.57	0.16	0.28
6	A	1465	1439	2.31	4.21	0.73	0.85
7	A	1461	1436	5.15	10.71	0.75	0.86
8	A	1397	1373	30.18	5.46	0.50	0.67
9	A	1370	1347	18.97	3.67	0.75	0.86
10	A	1349	1326	0.72	5.90	0.72	0.84
11	A	1233	1212	8.65	7.69	0.72	0.84
12	A	1193	1172	13.48	4.39	0.71	0.83
13	A	1096	1078	4.10	2.03	0.19	0.32
14	A	1058	1040	95.94	2.76	0.63	0.77
15	A	1000	983	75.55	3.23	0.57	0.72
16	A	871	856	20.83	5.00	0.45	0.62
17	A	829	815	42.34	5.60	0.35	0.52
18	A	504	495	9.26	1.00	0.74	0.85
19	A	387	380	117.15	0.85	0.74	0.85
20	A	310	305	27.41	0.37	0.39	0.56
21	A	148	145	11.13	0.07	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.569	0.293
C2	-0.717	0.562	-0.289
O3	1.489	-0.506	-0.192
F4	-1.399	-0.602	0.157
H5	1.191	1.496	-0.014
H6	0.626	0.560	1.396
H7	-1.297	1.433	0.051
H8	-0.696	0.518	-1.386
H9	1.043	-1.332	0.052

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5184	1.4273	2.3953	1.0994	1.1046	2.1762	2.1754	1.9497
C2	1.5184		2.4532	1.4212	2.1419	2.1546	1.1000	1.0985	2.6080
O3	1.4273	2.4532		2.9114	2.0320	2.0982	3.4034	2.6932	0.9702
F4	2.3953	1.4212	2.9114		3.3378	2.6436	2.0398	2.0324	2.5513
H5	1.0994	2.1419	2.0320	3.3378		1.7841	2.4899	2.5301	2.8329
H6	1.1046	2.1546	2.0982	2.6436	1.7841		2.5038	3.0808	2.3583
H7	2.1762	1.1000	3.4034	2.0398	2.4899	2.5038		1.8066	3.6222
H8	2.1754	1.0985	2.6932	2.0324	2.5301	3.0808	1.8066		2.9183
H9	1.9497	2.6080	0.9702	2.5513	2.8329	2.3583	3.6222	2.9183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.099	C1	C2	H7	111.419
C1	C2	H8	111.451	C1	O3	H9	107.286
C2	C1	O3	112.742	C2	C1	H5	108.749
C2	C1	H6	109.443	O3	C1	H5	106.342
O3	C1	H6	111.296

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

using model chemistry: B97D3/6-31+G**

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	-0.110
2	C	-0.026
3	O	-0.492
4	F	-0.329
5	H	0.154
6	H	0.148
7	H	0.144
8	H	0.160
9	H	0.351

	x	y	z	Total
	-0.461	1.461	0.290	1.559
CHELPG
AIM
ESP

	x	y	z
x	4.954	-0.133	0.041
y	-0.133	4.867	0.057
z	0.041	0.057	4.475

<r²>	83.193
(<r²>)^1/2	9.121

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

using model chemistry: B97D3/6-31+G**

States and conformations

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