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	hartrees
Energy at 0K	-253.617870
Energy at 298.15K
HF Energy	-252.949531
Nuclear repulsion energy	130.575718

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	3868	3633	47.84	49.04	0.17	0.29
2	A	3238	3041	23.70	48.47	0.74	0.85
3	A	3205	3010	20.53	73.68	0.50	0.66
4	A	3157	2965	24.67	114.99	0.11	0.20
5	A	3118	2928	35.80	110.03	0.13	0.23
6	A	1549	1454	2.00	4.19	0.71	0.83
7	A	1542	1448	3.79	9.34	0.75	0.86
8	A	1465	1376	24.80	3.10	0.45	0.62
9	A	1429	1342	20.93	1.00	0.75	0.86
10	A	1398	1313	5.02	8.19	0.73	0.84
11	A	1285	1207	8.17	6.93	0.71	0.83
12	A	1238	1162	11.63	3.98	0.73	0.85
13	A	1150	1080	2.89	2.67	0.16	0.27
14	A	1127	1058	90.44	4.01	0.59	0.74
15	A	1058	993	72.05	3.39	0.59	0.75
16	A	918	863	17.42	5.98	0.28	0.44
17	A	879	826	43.68	4.71	0.33	0.49
18	A	526	494	11.99	0.80	0.74	0.85
19	A	405	380	132.06	0.69	0.73	0.84
20	A	324	304	25.34	0.27	0.37	0.54
21	A	162	152	12.49	0.07	0.64	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.579	0.290
C2	-0.711	0.570	-0.285
O3	1.452	-0.514	-0.193
F4	-1.361	-0.607	0.157
H5	1.198	1.483	-0.025
H6	0.623	0.572	1.381
H7	-1.302	1.417	0.061
H8	-0.692	0.531	-1.372
H9	0.994	-1.326	0.060

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5049	1.4222	2.3637	1.0887	1.0929	2.1633	2.1551	1.9440
C2	1.5049		2.4209	1.4153	2.1317	2.1346	1.0887	1.0874	2.5730
O3	1.4222	2.4209		2.8358	2.0199	2.0841	3.3722	2.6599	0.9664
F4	2.3637	1.4153	2.8358		3.3086	2.6123	2.0268	2.0193	2.4637
H5	1.0887	2.1317	2.0199	3.3086		1.7713	2.5014	2.5083	2.8178
H6	1.0929	2.1346	2.0841	2.6123	1.7713		2.4820	3.0511	2.3417
H7	2.1633	1.0887	3.3722	2.0268	2.5014	2.4820		1.7916	3.5763
H8	2.1551	1.0874	2.6599	2.0193	2.5083	3.0511	1.7916		2.8876
H9	1.9440	2.5730	0.9664	2.4637	2.8178	2.3417	3.5763	2.8876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.037	C1	C2	H7	112.039
C1	C2	H8	111.455	C1	O3	H9	107.406
C2	C1	O3	111.567	C2	C1	H5	109.504
C2	C1	H6	109.490	O3	C1	H5	106.358
O3	C1	H6	111.249

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

using model chemistry: MP2=FULL/6-31+G**

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

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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