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	hartrees
Energy at 0K	-254.267525
Energy at 298.15K
HF Energy	-254.267525
Nuclear repulsion energy	129.392932

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	3607	3598	9.04	62.32	0.26	0.41
2	A	3019	3012	53.57	62.31	0.70	0.82
3	A	3003	2996	38.46	101.49	0.33	0.50
4	A	2960	2953	39.32	126.87	0.15	0.26
5	A	2904	2897	59.92	134.50	0.23	0.37
6	A	1468	1464	3.62	5.30	0.75	0.86
7	A	1463	1460	2.60	11.21	0.75	0.86
8	A	1401	1397	47.52	7.29	0.63	0.77
9	A	1378	1374	10.28	5.57	0.69	0.82
10	A	1357	1353	0.72	7.71	0.73	0.84
11	A	1229	1226	10.55	10.67	0.72	0.84
12	A	1196	1193	19.36	7.03	0.75	0.86
13	A	1095	1093	0.38	1.71	0.51	0.67
14	A	1031	1029	87.53	3.29	0.75	0.86
15	A	988	985	47.09	2.50	0.66	0.79
16	A	861	859	21.87	5.06	0.45	0.62
17	A	828	826	41.82	5.05	0.40	0.57
18	A	503	502	9.83	1.44	0.74	0.85
19	A	437	436	135.27	3.45	0.75	0.86
20	A	312	311	13.11	0.46	0.63	0.77
21	A	150	150	12.04	0.05	0.35	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.690	0.585	0.288
C2	-0.719	0.577	-0.286
O3	1.464	-0.524	-0.190
F4	-1.370	-0.612	0.160
H5	1.220	1.495	-0.033
H6	0.633	0.591	1.393
H7	-1.317	1.434	0.060
H8	-0.700	0.540	-1.385
H9	0.957	-1.327	0.037

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5219	1.4345	2.3863	1.1004	1.1071	2.1919	2.1757	1.9471
C2	1.5219		2.4470	1.4268	2.1606	2.1562	1.1016	1.0999	2.5573
O3	1.4345	2.4470		2.8566	2.0399	2.1075	3.4111	2.6915	0.9763
F4	2.3863	1.4268	2.8566		3.3444	2.6422	2.0497	2.0403	2.4373
H5	1.1004	2.1606	2.0399	3.3444		1.7876	2.5401	2.5354	2.8352
H6	1.1071	2.1562	2.1075	2.6422	1.7876		2.5084	3.0822	2.3714
H7	2.1919	1.1016	3.4111	2.0497	2.5401	2.5084		1.8087	3.5779
H8	2.1757	1.0999	2.6915	2.0403	2.5354	3.0822	1.8087		2.8734
H9	1.9471	2.5573	0.9763	2.4373	2.8352	2.3714	3.5779	2.8734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.010	C1	C2	H7	112.340
C1	C2	H8	111.146	C1	O3	H9	106.179
C2	C1	O3	111.696	C2	C1	H5	109.923
C2	C1	H6	109.180	O3	C1	H5	106.424
O3	C1	H6	111.379

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

using model chemistry: BLYP/6-311G*

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	-0.209
2	C	-0.115
3	O	-0.518
4	F	-0.273
5	H	0.195
6	H	0.183
7	H	0.180
8	H	0.189
9	H	0.368

	x	y	z	Total
	-0.574	1.267	0.254	1.414
CHELPG
AIM
ESP

	x	y	z
x	4.433	-0.136	0.051
y	-0.136	4.544	0.043
z	0.051	0.043	4.009

<r²>	82.219
(<r²>)^1/2	9.067

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

using model chemistry: BLYP/6-311G*

States and conformations

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