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	hartrees
Energy at 0K	-6769.230442
Energy at 298.15K	-6769.224857
HF Energy	-254.285262
Nuclear repulsion energy	131.362021

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	3802	3669	27.98	48.87	0.23	0.37
2	A	3085	2977	45.90	48.05	0.67	0.81
3	A	3076	2968	31.34	83.89	0.36	0.53
4	A	3028	2922	30.53	97.42	0.14	0.25
5	A	2981	2877	47.16	104.56	0.21	0.35
6	A	1503	1450	2.71	4.25	0.72	0.84
7	A	1495	1443	2.16	11.17	0.74	0.85
8	A	1436	1386	39.72	4.84	0.61	0.75
9	A	1414	1365	21.75	3.83	0.73	0.85
10	A	1387	1339	2.26	7.44	0.75	0.86
11	A	1269	1225	7.47	9.23	0.72	0.84
12	A	1228	1185	16.73	6.21	0.75	0.86
13	A	1140	1100	11.42	2.00	0.23	0.37
14	A	1099	1060	83.51	3.40	0.74	0.85
15	A	1065	1028	56.77	1.41	0.55	0.71
16	A	898	867	13.44	5.83	0.34	0.50
17	A	870	840	27.15	4.68	0.38	0.55
18	A	522	504	7.70	0.95	0.73	0.84
19	A	422	407	111.22	2.28	0.75	0.86
20	A	316	305	9.19	0.24	0.54	0.70
21	A	160	155	10.20	0.03	0.37	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.589	0.269
C2	-0.726	0.566	-0.271
O3	1.428	-0.529	-0.182
F4	-1.327	-0.611	0.159
H5	1.207	1.487	-0.088
H6	0.657	0.635	1.370
H7	-1.314	1.416	0.095
H8	-0.725	0.564	-1.367
H9	0.895	-1.304	0.026

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5167	1.4129	2.3502	1.0954	1.1019	2.1764	2.1640	1.9197
C2	1.5167		2.4179	1.3892	2.1492	2.1463	1.0968	1.0963	2.4925
O3	1.4129	2.4179		2.7769	2.0302	2.0876	3.3736	2.6895	0.9641
F4	2.3502	1.3892	2.7769		3.2987	2.6366	2.0281	2.0174	2.3307
H5	1.0954	2.1492	2.0302	3.2987		1.7755	2.5291	2.4944	2.8112
H6	1.1019	2.1463	2.0876	2.6366	1.7755		2.4736	3.0663	2.3711
H7	2.1764	1.0968	3.3736	2.0281	2.5291	2.4736		1.7921	3.5051
H8	2.1640	1.0963	2.6895	2.0174	2.4944	3.0663	1.7921		2.8381
H9	1.9197	2.4925	0.9641	2.3307	2.8112	2.3711	3.5051	2.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.875	C1	C2	H7	111.752
C1	C2	H8	110.793	C1	O3	H9	106.179
C2	C1	O3	111.198	C2	C1	H5	109.676
C2	C1	H6	109.065	O3	C1	H5	107.388
O3	C1	H6	111.630

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

using model chemistry: G4

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	-0.061
3	O	-0.418
4	F	-0.174
5	H	0.114
6	H	0.098
7	H	0.103
8	H	0.113
9	H	0.290

	x	y	z	Total
	-0.633	1.173	0.174	1.344
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	79.523
(<r²>)^1/2	8.918

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

using model chemistry: G4

States and conformations

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