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	hartrees
Energy at 0K	-253.736777
Energy at 298.15K
HF Energy	-253.030500
Nuclear repulsion energy	130.759480

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	3853	3652	42.73	50.62	0.20	0.34
2	A	3190	3024	28.93	45.54	0.74	0.85
3	A	3168	3003	22.90	75.89	0.42	0.59
4	A	3117	2954	24.71	117.73	0.11	0.19
5	A	3079	2918	37.37	120.81	0.14	0.24
6	A	1529	1449	3.72	4.84	0.75	0.86
7	A	1518	1439	4.42	7.44	0.74	0.85
8	A	1471	1394	24.82	3.76	0.46	0.63
9	A	1439	1364	21.83	2.41	0.75	0.86
10	A	1410	1336	3.24	9.62	0.75	0.86
11	A	1300	1232	5.52	8.33	0.71	0.83
12	A	1242	1178	15.17	4.54	0.75	0.86
13	A	1155	1095	2.76	2.03	0.20	0.33
14	A	1128	1069	86.32	4.04	0.68	0.81
15	A	1073	1017	65.41	2.71	0.67	0.80
16	A	915	867	17.63	5.01	0.37	0.54
17	A	881	836	40.50	4.86	0.33	0.50
18	A	525	497	13.06	0.93	0.74	0.85
19	A	426	404	127.25	1.43	0.68	0.81
20	A	324	307	20.35	0.33	0.47	0.64
21	A	156	148	11.03	0.06	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.573	0.287
C2	-0.713	0.556	-0.285
O3	1.464	-0.509	-0.188
F4	-1.370	-0.599	0.157
H5	1.181	1.486	-0.032
H6	0.620	0.575	1.380
H7	-1.289	1.419	0.052
H8	-0.686	0.518	-1.373
H9	0.988	-1.314	0.048

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5059	1.4185	2.3642	1.0897	1.0947	2.1555	2.1509	1.9268
C2	1.5059		2.4262	1.4002	2.1250	2.1335	1.0904	1.0894	2.5501
O3	1.4185	2.4262		2.8564	2.0216	2.0846	3.3697	2.6620	0.9642
F4	2.3642	1.4002	2.8564		3.2997	2.6140	2.0217	2.0142	2.4664
H5	1.0897	2.1250	2.0216	3.2997		1.7721	2.4720	2.4943	2.8080
H6	1.0947	2.1335	2.0846	2.6140	1.7721		2.4741	3.0485	2.3404
H7	2.1555	1.0904	3.3697	2.0217	2.4720	2.4741		1.7908	3.5570
H8	2.1509	1.0894	2.6620	2.0142	2.4943	3.0485	1.7908		2.8601
H9	1.9268	2.5501	0.9642	2.4664	2.8080	2.3404	3.5570	2.8601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.831	C1	C2	H7	111.230
C1	C2	H8	110.924	C1	O3	H9	106.360
C2	C1	O3	112.090	C2	C1	H5	108.850
C2	C1	H6	109.227	O3	C1	H5	106.681
O3	C1	H6	111.439

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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