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	hartrees
Energy at 0K	-254.153866
Energy at 298.15K
HF Energy	-254.153866
Nuclear repulsion energy	131.979786

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	3806	3604	38.54	52.85	0.27	0.42
2	A	3161	2993	44.34	51.59	0.74	0.85
3	A	3146	2980	28.49	83.09	0.38	0.55
4	A	3102	2937	27.28	97.98	0.15	0.26
5	A	3051	2890	45.45	107.36	0.21	0.34
6	A	1541	1459	2.27	5.72	0.74	0.85
7	A	1530	1449	1.56	13.93	0.74	0.85
8	A	1467	1389	43.04	4.87	0.60	0.75
9	A	1436	1360	32.12	4.64	0.74	0.85
10	A	1406	1331	3.55	10.26	0.75	0.86
11	A	1288	1219	7.89	12.17	0.71	0.83
12	A	1246	1180	15.18	7.91	0.75	0.86
13	A	1173	1111	47.41	3.58	0.40	0.57
14	A	1137	1076	54.60	3.98	0.75	0.86
15	A	1109	1050	64.34	1.44	0.62	0.76
16	A	926	877	12.98	7.62	0.33	0.50
17	A	894	847	26.64	3.80	0.53	0.69
18	A	533	505	11.44	1.02	0.74	0.85
19	A	435	412	139.84	3.01	0.74	0.85
20	A	324	307	12.87	0.30	0.60	0.75
21	A	171	162	11.77	0.04	0.34	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.592	0.271
C2	-0.720	0.573	-0.271
O3	1.404	-0.534	-0.186
F4	-1.306	-0.611	0.160
H5	1.222	1.480	-0.082
H6	0.655	0.628	1.370
H7	-1.319	1.413	0.094
H8	-0.715	0.564	-1.365
H9	0.856	-1.304	0.031

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5123	1.4081	2.3341	1.0936	1.1001	2.1791	2.1574	1.9176
C2	1.5123		2.3965	1.3896	2.1520	2.1415	1.0947	1.0942	2.4697
O3	1.4081	2.3965		2.7325	2.0253	2.0809	3.3591	2.6617	0.9690
F4	2.3341	1.3896	2.7325		3.2897	2.6156	2.0252	2.0148	2.2742
H5	1.0936	2.1520	2.0253	3.2897		1.7767	2.5481	2.4969	2.8104
H6	1.1001	2.1415	2.0809	2.6156	1.7767		2.4777	3.0593	2.3586
H7	2.1791	1.0947	3.3591	2.0252	2.5481	2.4777		1.7936	3.4812
H8	2.1574	1.0942	2.6617	2.0148	2.4969	3.0593	1.7936		2.8123
H9	1.9176	2.4697	0.9690	2.2742	2.8104	2.3586	3.4812	2.8123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.017	C1	C2	H7	112.431
C1	C2	H8	110.701	C1	O3	H9	106.073
C2	C1	O3	110.246	C2	C1	H5	110.313
C2	C1	H6	109.099	O3	C1	H5	107.442
O3	C1	H6	111.532

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

using model chemistry: M06-2X/6-31G*

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	-0.079
2	C	0.004
3	O	-0.646
4	F	-0.335
5	H	0.169
6	H	0.152
7	H	0.152
8	H	0.164
9	H	0.419

	x	y	z	Total
	-0.801	1.317	0.243	1.561
CHELPG
AIM
ESP

	x	y	z
x	3.873	-0.079	-0.022
y	-0.079	4.107	0.045
z	-0.022	0.045	3.667

<r²>	78.570
(<r²>)^1/2	8.864

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

using model chemistry: M06-2X/6-31G*

States and conformations

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