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	hartrees
Energy at 0K	-214.758371
Energy at 298.15K
HF Energy	-214.758371
Nuclear repulsion energy	78.103345

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	3704	3661	35.88	79.38	0.23	0.37
2	A	3073	3038	28.89	74.16	0.52	0.69
3	A	2971	2937	60.71	112.04	0.14	0.24
4	A	1474	1457	3.01	7.37	0.74	0.85
5	A	1386	1370	33.48	6.64	0.74	0.85
6	A	1345	1330	8.07	4.26	0.68	0.81
7	A	1209	1195	4.13	6.23	0.65	0.79
8	A	1113	1100	140.83	4.21	0.16	0.28
9	A	1026	1015	88.67	1.16	0.46	0.63
10	A	932	921	194.16	4.56	0.40	0.57
11	A	520	514	44.09	1.39	0.55	0.71
12	A	405	400	121.37	2.66	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.517	0.049
F2	1.153	-0.310	-0.027
O3	-1.155	-0.222	-0.120
H4	0.066	1.019	1.032
H5	0.059	1.231	-0.786
H6	-1.287	-0.786	0.665

	C1	F2	O3	H4	H5	H6
C1		1.4168	1.3856	1.1060	1.1003	1.9355
F2	1.4168		2.3121	2.0170	2.0366	2.5807
O3	1.3856	2.3121		2.0879	2.0073	0.9758
H4	1.1060	2.0170	2.0879		1.8312	2.2854
H5	1.1003	2.0366	2.0073	1.8312		2.8262
H6	1.9355	2.5807	0.9758	2.2854	2.8262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.852	F2	C1	O3	111.174
F2	C1	H4	105.500	F2	C1	H5	107.351
O3	C1	H4	113.373	O3	C1	H5	107.143
H4	C1	H5	112.193

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBE/6-31+G**

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	0.105
2	F	-0.308
3	O	-0.448
4	H	0.141
5	H	0.158
6	H	0.352

	x	y	z	Total
	-0.888	0.836	1.566	1.985
CHELPG
AIM
ESP

	x	y	z
x	3.338	0.144	-0.027
y	0.144	3.001	-0.043
z	-0.027	-0.043	2.809

<r²>	43.684
(<r²>)^1/2	6.609

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)