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	hartrees
Energy at 0K	-214.547638
Energy at 298.15K
HF Energy	-213.956370
Nuclear repulsion energy	79.272757

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	3856	3652	33.64	63.49	0.31	0.48
2	A	3220	3049	40.71	61.56	0.50	0.67
3	A	3104	2940	70.54	93.84	0.14	0.25
4	A	1580	1496	2.74	7.46	0.75	0.85
5	A	1510	1430	52.01	6.40	0.75	0.86
6	A	1439	1363	17.29	6.47	0.74	0.85
7	A	1310	1240	9.59	6.89	0.73	0.85
8	A	1181	1119	165.78	3.11	0.29	0.45
9	A	1110	1052	100.50	1.98	0.47	0.64
10	A	1052	996	129.57	3.26	0.49	0.66
11	A	566	536	61.04	1.95	0.62	0.76
12	A	426	404	130.28	4.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.016	0.508	0.049
F2	1.131	-0.309	-0.028
O3	-1.144	-0.212	-0.115
H4	0.071	1.006	1.022
H5	0.063	1.220	-0.772
H6	-1.252	-0.801	0.636

	C1	F2	O3	H4	H5	H6
C1		1.3847	1.3752	1.0941	1.0874	1.9146
F2	1.3847		2.2786	1.9885	2.0077	2.5223
O3	1.3752	2.2786		2.0622	1.9847	0.9606
H4	1.0941	1.9885	2.0622		1.8066	2.2719
H5	1.0874	2.0077	1.9847	1.8066		2.7920
H6	1.9146	2.5223	0.9606	2.2719	2.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.811	F2	C1	O3	111.299
F2	C1	H4	106.087	F2	C1	H5	108.010
O3	C1	H4	112.768	O3	C1	H5	106.821
H4	C1	H5	111.819

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)