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	hartrees
Energy at 0K	-254.058995
Energy at 298.15K
HF Energy	-253.845253
Nuclear repulsion energy	130.277822

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	3845	3662	43.43	53.36	0.18	0.30
2	A	3177	3026	28.03	53.53	0.74	0.85
3	A	3144	2994	26.14	85.16	0.40	0.57
4	A	3107	2959	24.62	122.01	0.13	0.22
5	A	3063	2917	40.59	120.00	0.15	0.26
6	A	1522	1450	2.16	3.89	0.71	0.83
7	A	1517	1445	4.58	10.16	0.75	0.86
8	A	1447	1378	27.11	3.65	0.45	0.62
9	A	1414	1347	20.91	1.56	0.75	0.86
10	A	1388	1322	3.82	7.65	0.72	0.84
11	A	1271	1211	8.90	7.29	0.71	0.83
12	A	1225	1167	13.80	4.10	0.73	0.85
13	A	1138	1083	5.79	2.72	0.19	0.31
14	A	1108	1055	93.35	3.42	0.64	0.78
15	A	1043	993	74.43	3.43	0.60	0.75
16	A	905	862	17.31	5.82	0.33	0.50
17	A	865	824	44.79	5.14	0.33	0.50
18	A	520	495	11.53	0.88	0.74	0.85
19	A	397	378	127.69	0.78	0.73	0.85
20	A	318	303	26.80	0.30	0.38	0.55
21	A	152	145	12.48	0.07	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.682	0.576	0.289
C2	-0.715	0.567	-0.285
O3	1.462	-0.510	-0.192
F4	-1.371	-0.606	0.156
H5	1.194	1.488	-0.025
H6	0.628	0.570	1.384
H7	-1.302	1.419	0.064
H8	-0.700	0.529	-1.375
H9	1.015	-1.329	0.057

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5099	1.4207	2.3719	1.0920	1.0964	2.1675	2.1630	1.9473
C2	1.5099		2.4302	1.4142	2.1351	2.1415	1.0919	1.0907	2.5890
O3	1.4207	2.4302		2.8555	2.0226	2.0848	3.3802	2.6741	0.9659
F4	2.3719	1.4142	2.8555		3.3155	2.6231	2.0279	2.0205	2.4946
H5	1.0920	2.1351	2.0226	3.3155		1.7742	2.4986	2.5156	2.8236
H6	1.0964	2.1415	2.0848	2.6231	1.7742		2.4875	3.0616	2.3483
H7	2.1675	1.0919	3.3802	2.0279	2.4986	2.4875		1.7953	3.5943
H8	2.1630	1.0907	2.6741	2.0205	2.5156	3.0616	1.7953		2.9058
H9	1.9473	2.5890	0.9659	2.4946	2.8236	2.3483	3.5943	2.9058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.378	C1	C2	H7	111.831
C1	C2	H8	111.545	C1	O3	H9	107.833
C2	C1	O3	112.007	C2	C1	H5	109.241
C2	C1	H6	109.479	O3	C1	H5	106.476
O3	C1	H6	111.182

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

using model chemistry: B2PLYP/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	-0.053
2	C	0.031
3	O	-0.536
4	F	-0.367
5	H	0.144
6	H	0.138
7	H	0.136
8	H	0.150
9	H	0.356

	x	y	z	Total
	-0.535	1.600	0.319	1.717
CHELPG
AIM
ESP

	x	y	z
x	4.615	-0.102	0.013
y	-0.102	4.642	0.042
z	0.013	0.042	4.243

<r²>	81.850
(<r²>)^1/2	9.047

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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