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	hartrees
Energy at 0K	-254.123166
Energy at 298.15K
HF Energy	-254.123166
Nuclear repulsion energy	130.910840

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	3856	3702	42.52	56.46	0.22	0.36
2	A	3126	3001	32.28	51.43	0.74	0.85
3	A	3107	2983	26.02	91.57	0.32	0.48
4	A	3064	2942	24.18	122.42	0.12	0.21
5	A	3018	2898	41.52	135.94	0.16	0.27
6	A	1492	1433	4.05	3.80	0.74	0.85
7	A	1486	1427	6.33	9.15	0.73	0.84
8	A	1440	1382	28.50	4.39	0.51	0.67
9	A	1410	1353	19.00	3.92	0.75	0.86
10	A	1388	1333	1.45	8.28	0.75	0.86
11	A	1278	1227	7.52	8.60	0.71	0.83
12	A	1229	1180	13.89	5.01	0.74	0.85
13	A	1140	1094	33.10	3.01	0.41	0.58
14	A	1114	1069	69.45	2.15	0.75	0.86
15	A	1063	1020	79.18	2.61	0.64	0.78
16	A	905	869	15.53	4.78	0.40	0.57
17	A	870	835	37.83	4.32	0.43	0.60
18	A	519	498	11.03	0.98	0.74	0.85
19	A	404	388	123.37	1.51	0.67	0.80
20	A	319	306	27.12	0.36	0.56	0.71
21	A	149	143	11.68	0.05	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.566	0.285
C2	-0.714	0.552	-0.283
O3	1.466	-0.502	-0.188
F4	-1.374	-0.596	0.156
H5	1.176	1.489	-0.025
H6	0.621	0.569	1.382
H7	-1.288	1.420	0.054
H8	-0.691	0.518	-1.375
H9	1.019	-1.320	0.049

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5040	1.4086	2.3626	1.0929	1.0987	2.1564	2.1529	1.9309
C2	1.5040		2.4231	1.3949	2.1247	2.1338	1.0937	1.0929	2.5720
O3	1.4086	2.4231		2.8622	2.0191	2.0799	3.3668	2.6654	0.9616
F4	2.3626	1.3949	2.8622		3.2986	2.6156	2.0203	2.0121	2.5022
H5	1.0929	2.1247	2.0191	3.2986		1.7701	2.4654	2.5004	2.8145
H6	1.0987	2.1338	2.0799	2.6156	1.7701		2.4761	3.0538	2.3460
H7	2.1564	1.0937	3.3668	2.0203	2.4654	2.4761		1.7917	3.5814
H8	2.1529	1.0929	2.6654	2.0121	2.5004	3.0538	1.7917		2.8861
H9	1.9309	2.5720	0.9616	2.5022	2.8145	2.3460	3.5814	2.8861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.122	C1	C2	H7	111.241
C1	C2	H8	111.015	C1	O3	H9	107.610
C2	C1	O3	112.552	C2	C1	H5	108.771
C2	C1	H6	109.150	O3	C1	H5	106.958
O3	C1	H6	111.503

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

using model chemistry: HSEh1PBE/TZVP

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	-0.092
2	C	-0.031
3	O	-0.371
4	F	-0.251
5	H	0.120
6	H	0.118
7	H	0.109
8	H	0.122
9	H	0.276

	x	y	z	Total
	-0.490	1.371	0.283	1.483
CHELPG
AIM
ESP

	x	y	z
x	4.459	-0.095	0.022
y	-0.095	4.562	0.031
z	0.022	0.031	4.147

<r²>	81.201
(<r²>)^1/2	9.011

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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