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	hartrees
Energy at 0K	-254.207666
Energy at 298.15K
HF Energy	-254.207666
Nuclear repulsion energy	131.161307

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	3854	3671	42.05	51.47	0.25	0.40
2	A	3129	2981	41.06	60.46	0.75	0.85
3	A	3109	2962	32.18	93.15	0.36	0.53
4	A	3060	2915	28.82	121.52	0.13	0.23
5	A	3006	2864	52.42	127.18	0.19	0.32
6	A	1485	1415	0.24	1.98	0.73	0.85
7	A	1482	1412	8.96	13.38	0.74	0.85
8	A	1447	1378	44.47	4.70	0.47	0.64
9	A	1411	1344	21.73	6.20	0.74	0.85
10	A	1386	1320	0.77	4.65	0.75	0.86
11	A	1269	1208	10.40	9.34	0.70	0.82
12	A	1237	1179	9.66	6.88	0.75	0.86
13	A	1153	1099	62.54	3.14	0.59	0.74
14	A	1120	1067	41.71	1.99	0.61	0.76
15	A	1075	1024	64.13	2.21	0.69	0.82
16	A	914	871	13.88	5.68	0.34	0.50
17	A	877	836	33.43	3.79	0.46	0.63
18	A	527	502	9.14	1.19	0.74	0.85
19	A	428	408	120.79	2.70	0.75	0.86
20	A	321	306	13.80	0.36	0.62	0.76
21	A	152	145	11.55	0.04	0.26	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.577	0.276
C2	-0.716	0.564	-0.275
O3	1.437	-0.522	-0.185
F4	-1.345	-0.603	0.158
H5	1.205	1.489	-0.063
H6	0.645	0.609	1.382
H7	-1.302	1.427	0.080
H8	-0.705	0.547	-1.377
H9	0.923	-1.309	0.036

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5110	1.4060	2.3558	1.1010	1.1079	2.1756	2.1632	1.9146
C2	1.5110		2.4134	1.3951	2.1429	2.1452	1.1019	1.1015	2.5082
O3	1.4060	2.4134		2.8041	2.0280	2.0892	3.3724	2.6739	0.9653
F4	2.3558	1.3951	2.8041		3.3061	2.6322	2.0326	2.0216	2.3780
H5	1.1010	2.1429	2.0280	3.3061		1.7826	2.5122	2.5024	2.8135
H6	1.1079	2.1452	2.0892	2.6322	1.7826		2.4812	3.0720	2.3598
H7	2.1756	1.1019	3.3724	2.0326	2.5122	2.4812		1.8036	3.5267
H8	2.1632	1.1015	2.6739	2.0216	2.5024	3.0720	1.8036		2.8438
H9	1.9146	2.5082	0.9653	2.3780	2.8135	2.3598	3.5267	2.8438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.249	C1	C2	H7	111.790
C1	C2	H8	110.817	C1	O3	H9	106.195
C2	C1	O3	111.606	C2	C1	H5	109.243
C2	C1	H6	109.023	O3	C1	H5	107.364
O3	C1	H6	111.876

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.077
2	C	0.168
3	O	-0.287
4	F	-0.269
5	H	0.044
6	H	0.033
7	H	0.035
8	H	0.044
9	H	0.154

	x	y	z	Total
	-0.528	1.256	0.189	1.376
CHELPG
AIM
ESP

	x	y	z
x	3.994	-0.075	0.024
y	-0.075	4.180	0.037
z	0.024	0.037	3.731

<r²>	79.919
(<r²>)^1/2	8.940

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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