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	hartrees
Energy at 0K	-250.802257
Energy at 298.15K
HF Energy	-250.802257
Nuclear repulsion energy	130.686664

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	3468	3095	63.20	24.67	0.15	0.25
2	A	3375	3012	8.56	32.24	0.75	0.86
3	A	3346	2986	8.99	34.52	0.64	0.78
4	A	3263	2912	5.90	38.10	0.15	0.26
5	A	3237	2889	20.83	43.52	0.13	0.24
6	A	1757	1568	83.31	7.56	0.59	0.74
7	A	1681	1500	1.33	15.46	0.74	0.85
8	A	1643	1466	1.66	11.79	0.75	0.86
9	A	1450	1294	1.94	3.78	0.67	0.80
10	A	1415	1263	4.36	3.72	0.74	0.85
11	A	1298	1158	6.06	11.67	0.75	0.86
12	A	1280	1142	3.73	9.23	0.75	0.86
13	A	1185	1057	4.86	1.45	0.38	0.55
14	A	1172	1046	2.48	0.76	0.70	0.82
15	A	1122	1001	15.16	2.42	0.56	0.72
16	A	955	852	2.51	9.84	0.27	0.43
17	A	882	787	1.28	0.73	0.74	0.85
18	A	677	604	56.16	3.28	0.74	0.85
19	A	646	577	7.97	2.81	0.74	0.85
20	A	444	396	14.39	0.28	0.49	0.65
21	A	89	80	1.34	0.06	0.72	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.800	0.682	0.088
C2	-0.784	0.674	-0.092
O3	1.272	-0.692	-0.076
F4	-1.173	-0.689	0.068
H5	1.267	1.350	-0.668
H6	1.051	1.089	1.097
H7	-1.297	1.303	0.671
H8	-1.082	1.022	-1.107
H9	0.345	-1.162	0.021

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5947	1.4620	2.4032	1.1117	1.1163	2.2636	2.2559	1.9003
C2	1.5947		2.4685	1.4264	2.2354	2.2255	1.1137	1.1144	2.1576
O3	1.4620	2.4685		2.4496	2.1262	2.1443	3.3376	3.0893	1.0441
F4	2.4032	1.4264	2.4496		3.2643	3.0279	2.0854	2.0783	1.5903
H5	1.1117	2.2354	2.1262	3.2643		1.7970	2.8926	2.4123	2.7630
H6	1.1163	2.2255	2.1443	3.0279	1.7970		2.3959	3.0682	2.5930
H7	2.2636	1.1137	3.3376	2.0854	2.8926	2.3959		1.8127	3.0321
H8	2.2559	1.1144	3.0893	2.0783	2.4123	3.0682	1.8127		2.8420
H9	1.9003	2.1576	1.0441	1.5903	2.7630	2.5930	3.0321	2.8420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	105.266	C1	C2	H7	112.167
C1	C2	H8	111.525	C1	O3	H9	97.216
C2	C1	O3	107.640	C2	C1	H5	110.085
C2	C1	H6	109.080	O3	C1	H5	110.666
O3	C1	H6	111.848

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

using model chemistry: B3LYP/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	-0.065
2	C	-0.045
3	O	-0.271
4	F	-0.080
5	H	0.071
6	H	0.062
7	H	0.081
8	H	0.081
9	H	0.166

	x	y	z	Total
	-1.673	1.288	0.078	2.113
CHELPG
AIM
ESP

	x	y	z
x	2.342	0.056	-0.017
y	0.056	2.568	0.015
z	-0.017	0.015	1.674

<r²>	76.664
(<r²>)^1/2	8.756

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

using model chemistry: B3LYP/STO-3G

States and conformations

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