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	hartrees
Energy at 0K	-251.961385
Energy at 298.15K
HF Energy	-251.536842
Nuclear repulsion energy	129.771307

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	3511	3353	7.14	50.82	0.27	0.42
2	A	3187	3043	39.01	45.50	0.63	0.77
3	A	3179	3035	18.36	72.56	0.44	0.61
4	A	3125	2984	22.93	82.92	0.16	0.28
5	A	3074	2935	37.76	88.91	0.23	0.37
6	A	1613	1540	1.35	9.25	0.74	0.85
7	A	1605	1532	0.54	15.56	0.74	0.85
8	A	1479	1412	5.90	2.62	0.70	0.82
9	A	1460	1394	33.10	6.48	0.70	0.83
10	A	1440	1374	18.88	17.00	0.75	0.86
11	A	1297	1239	8.31	13.13	0.73	0.84
12	A	1267	1210	16.66	11.02	0.75	0.86
13	A	1162	1110	5.16	3.42	0.54	0.70
14	A	1072	1024	28.88	6.37	0.65	0.79
15	A	1031	984	40.81	1.51	0.70	0.82
16	A	910	869	11.08	4.36	0.60	0.75
17	A	886	846	30.29	9.17	0.21	0.35
18	A	525	501	60.99	5.58	0.75	0.86
19	A	500	477	123.40	2.01	0.74	0.85
20	A	310	296	2.51	0.18	0.53	0.70
21	A	180	172	14.96	0.09	0.60	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	0.630	0.281
C2	-0.722	0.610	-0.281
O3	1.396	-0.574	-0.188
F4	-1.296	-0.639	0.165
H5	1.254	1.489	-0.094
H6	0.650	0.679	1.376
H7	-1.331	1.440	0.083
H8	-0.695	0.605	-1.372
H9	0.765	-1.314	0.019

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5260	1.4690	2.3652	1.0902	1.0975	2.1927	2.1603	1.9625
C2	1.5260		2.4287	1.4455	2.1706	2.1524	1.0917	1.0913	2.4501
O3	1.4690	2.4287		2.7159	2.0697	2.1379	3.4013	2.6765	0.9945
F4	2.3652	1.4455	2.7159		3.3312	2.6435	2.0813	2.0669	2.1732
H5	1.0902	2.1706	2.0697	3.3312		1.7841	2.5917	2.4922	2.8473
H6	1.0975	2.1524	2.1379	2.6435	1.7841		2.4857	3.0601	2.4133
H7	2.1927	1.0917	3.4013	2.0813	2.5917	2.4857		1.7939	3.4615
H8	2.1603	1.0913	2.6765	2.0669	2.4922	3.0601	1.7939		2.7831
H9	1.9625	2.4501	0.9945	2.1732	2.8473	2.4133	3.4615	2.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	105.458	C1	C2	H7	112.737
C1	C2	H8	110.150	C1	O3	H9	103.952
C2	C1	O3	108.356	C2	C1	H5	111.035
C2	C1	H6	109.163	O3	C1	H5	107.012
O3	C1	H6	112.004

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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