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	hartrees
Energy at 0K	-214.659603
Energy at 298.15K
HF Energy	-213.992890
Nuclear repulsion energy	79.319686

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	3667	55.10	59.11	0.24	0.39
2	A	3195	3033	31.80	57.35	0.52	0.68
3	A	3098	2942	55.87	103.59	0.10	0.19
4	A	1561	1483	1.77	4.70	0.73	0.84
5	A	1474	1400	28.96	2.62	0.74	0.85
6	A	1417	1346	16.62	3.53	0.75	0.85
7	A	1294	1228	7.55	4.12	0.69	0.82
8	A	1163	1104	138.68	3.62	0.22	0.35
9	A	1091	1036	138.94	1.54	0.35	0.52
10	A	1047	994	96.86	2.69	0.53	0.69
11	A	550	522	27.97	1.69	0.57	0.72
12	A	392	372	112.99	3.02	0.75	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.508	0.047
F2	1.130	-0.309	-0.026
O3	-1.142	-0.216	-0.119
H4	0.066	1.009	1.013
H5	0.071	1.217	-0.772
H6	-1.272	-0.757	0.665

	C1	F2	O3	H4	H5	H6
C1		1.3817	1.3778	1.0896	1.0848	1.9097
F2	1.3817		2.2759	1.9874	2.0024	2.5391
O3	1.3778	2.2759		2.0598	1.9879	0.9615
H4	1.0896	1.9874	2.0598		1.7976	2.2427
H5	1.0848	2.0024	1.9879	1.7976		2.7868
H6	1.9097	2.5391	0.9615	2.2427	2.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.119	F2	C1	O3	111.129
F2	C1	H4	106.465	F2	C1	H5	107.947
O3	C1	H4	112.669	O3	C1	H5	107.056
H4	C1	H5	111.525

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: MP2/cc-pVTZ

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 CH2FOH (fluoromethanol)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)