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	hartrees
Energy at 0K	-254.211377
Energy at 298.15K
HF Energy	-254.211377
Nuclear repulsion energy	131.147488

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	3862	3862	54.22	51.22	0.14	0.25
2	A	3157	3157	26.05	49.58	0.75	0.86
3	A	3129	3129	24.13	86.66	0.33	0.50
4	A	3091	3091	21.86	131.39	0.10	0.17
5	A	3049	3049	38.12	144.00	0.12	0.21
6	A	1479	1479	4.34	1.36	0.74	0.85
7	A	1473	1473	6.91	6.40	0.74	0.85
8	A	1430	1430	30.74	2.92	0.18	0.30
9	A	1391	1391	19.50	2.12	0.73	0.84
10	A	1365	1365	0.36	2.30	0.57	0.73
11	A	1263	1263	9.73	4.26	0.66	0.80
12	A	1224	1224	8.85	3.23	0.72	0.83
13	A	1150	1150	76.74	3.49	0.35	0.52
14	A	1117	1117	31.85	1.80	0.52	0.68
15	A	1078	1078	74.04	2.80	0.52	0.68
16	A	908	908	13.32	6.42	0.20	0.34
17	A	870	870	26.32	2.74	0.39	0.56
18	A	521	521	11.05	0.71	0.70	0.82
19	A	388	388	101.64	0.75	0.74	0.85
20	A	315	315	23.90	0.39	0.33	0.49
21	A	156	156	10.47	0.08	0.40	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.583	0.279
C2	-0.717	0.566	-0.279
O3	1.435	-0.520	-0.187
F4	-1.341	-0.606	0.159
H5	1.201	1.489	-0.060
H6	0.641	0.598	1.379
H7	-1.309	1.416	0.082
H8	-0.708	0.537	-1.375
H9	0.946	-1.319	0.038

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5095	1.4123	2.3527	1.0964	1.1011	2.1703	2.1633	1.9347
C2	1.5095		2.4124	1.3985	2.1392	2.1435	1.0968	1.0963	2.5335
O3	1.4123	2.4124		2.7992	2.0268	2.0814	3.3689	2.6689	0.9642
F4	2.3527	1.3985	2.7992		3.3013	2.6207	2.0239	2.0151	2.3981
H5	1.0964	2.1392	2.0268	3.3013		1.7830	2.5142	2.5055	2.8219
H6	1.1011	2.1435	2.0814	2.6207	1.7830		2.4807	3.0674	2.3593
H7	2.1703	1.0968	3.3689	2.0239	2.5142	2.4807		1.8043	3.5447
H8	2.1633	1.0963	2.6689	2.0151	2.5055	3.0674	1.8043		2.8596
H9	1.9347	2.5335	0.9642	2.3981	2.8219	2.3593	3.5447	2.8596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.947	C1	C2	H7	111.788
C1	C2	H8	111.253	C1	O3	H9	107.494
C2	C1	O3	111.264	C2	C1	H5	109.328
C2	C1	H6	109.395	O3	C1	H5	107.108
O3	C1	H6	111.205

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

using model chemistry: M06-2X/daug-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	1.406
2	C	1.609
3	O	-0.720
4	F	-0.499
5	H	-0.660
6	H	-0.562
7	H	-0.476
8	H	-0.472
9	H	0.374

	x	y	z	Total
	-0.549	1.476	0.228	1.591
CHELPG
AIM
ESP

	x	y	z
x	5.069	-0.114	0.056
y	-0.114	5.059	0.048
z	0.056	0.048	4.650

<r²>	80.284
(<r²>)^1/2	8.960

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

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

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