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	hartrees
Energy at 0K	-253.038962
Energy at 298.15K
HF Energy	-253.038962
Nuclear repulsion energy	131.966110

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	4151	3755	68.70	49.03	0.18	0.30
2	A	3252	2942	45.86	40.72	0.73	0.84
3	A	3225	2917	50.90	94.54	0.20	0.34
4	A	3197	2892	22.30	113.98	0.14	0.25
5	A	3156	2855	46.01	115.30	0.15	0.26
6	A	1629	1473	2.71	1.93	0.75	0.86
7	A	1621	1466	4.18	5.23	0.75	0.86
8	A	1569	1420	26.61	1.71	0.07	0.12
9	A	1530	1384	24.09	0.30	0.68	0.81
10	A	1494	1351	12.49	4.08	0.63	0.78
11	A	1383	1251	12.74	3.90	0.66	0.80
12	A	1317	1191	22.12	2.25	0.75	0.86
13	A	1233	1116	41.34	4.29	0.30	0.46
14	A	1202	1087	77.01	2.50	0.70	0.82
15	A	1157	1046	96.96	2.70	0.66	0.80
16	A	970	878	16.21	4.56	0.28	0.44
17	A	930	842	37.70	6.15	0.19	0.31
18	A	558	505	14.01	0.60	0.71	0.83
19	A	388	351	86.18	0.63	0.68	0.81
20	A	326	295	58.93	0.46	0.42	0.59
21	A	164	148	11.17	0.08	0.50	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	0.565	0.282
C2	-0.722	0.540	-0.278
O3	1.458	-0.491	-0.191
F4	-1.362	-0.593	0.155
H5	1.161	1.481	-0.030
H6	0.632	0.561	1.367
H7	-1.292	1.394	0.064
H8	-0.710	0.514	-1.359
H9	1.076	-1.310	0.070

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5076	1.3952	2.3483	1.0823	1.0865	2.1478	2.1489	1.9287
C2	1.5076		2.4128	1.3709	2.1204	2.1310	1.0824	1.0813	2.6034
O3	1.3952	2.4128		2.8425	2.0010	2.0536	3.3433	2.6588	0.9410
F4	2.3483	1.3709	2.8425		3.2715	2.6032	1.9909	1.9855	2.5427
H5	1.0823	2.1204	2.0010	3.2715		1.7546	2.4560	2.4906	2.7950
H6	1.0865	2.1310	2.0536	2.6032	1.7546		2.4688	3.0387	2.3201
H7	2.1478	1.0824	3.3433	1.9909	2.4560	2.4688		1.7712	3.5948
H8	2.1489	1.0813	2.6588	1.9855	2.4906	3.0387	1.7712		2.9253
H9	1.9287	2.6034	0.9410	2.5427	2.7950	2.3201	3.5948	2.9253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.245	C1	C2	H7	110.985
C1	C2	H8	111.138	C1	O3	H9	109.756
C2	C1	O3	112.382	C2	C1	H5	108.800
C2	C1	H6	109.393	O3	C1	H5	107.056
O3	C1	H6	111.070

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.537
2	C	-0.009
3	O	-0.998
4	F	-0.965
5	H	0.745
6	H	0.511
7	H	0.591
8	H	0.531
9	H	0.131

	x	y	z	Total
	-0.436	1.408	0.328	1.510
CHELPG
AIM
ESP

	x	y	z
x	4.575	-0.108	0.028
y	-0.108	4.617	0.027
z	0.028	0.027	4.240

<r²>	80.356
(<r²>)^1/2	8.964

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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