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	hartrees
Energy at 0K	-214.821407
Energy at 298.15K
HF Energy	-214.625769
Nuclear repulsion energy	79.409684

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	3850	3676	36.88	63.79	0.28	0.44
2	A	3137	2996	43.89	61.37	0.48	0.65
3	A	3046	2909	65.68	86.84	0.14	0.25
4	A	1553	1483	1.57	7.53	0.73	0.85
5	A	1484	1417	39.09	4.75	0.75	0.86
6	A	1420	1356	21.01	4.98	0.73	0.85
7	A	1289	1231	7.21	6.91	0.71	0.83
8	A	1154	1102	121.67	3.89	0.24	0.38
9	A	1095	1046	144.53	2.36	0.30	0.46
10	A	1054	1007	71.41	2.30	0.49	0.65
11	A	547	522	27.93	1.54	0.57	0.73
12	A	380	363	109.94	3.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.505	0.047
F2	1.125	-0.311	-0.027
O3	-1.143	-0.213	-0.118
H4	0.070	1.018	1.015
H5	0.068	1.224	-0.773
H6	-1.264	-0.772	0.655

	C1	F2	O3	H4	H5	H6
C1		1.3733	1.3790	1.0965	1.0914	1.9124
F2	1.3733		2.2719	1.9914	2.0071	2.5273
O3	1.3790	2.2719		2.0659	1.9900	0.9614
H4	1.0965	1.9914	2.0659		1.8000	2.2611
H5	1.0914	2.0071	1.9900	1.8000		2.7925
H6	1.9124	2.5273	0.9614	2.2611	2.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.279	F2	C1	O3	111.273
F2	C1	H4	106.936	F2	C1	H5	108.503
O3	C1	H4	112.635	O3	C1	H5	106.750
H4	C1	H5	110.712

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP/6-31G(2df,p)

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	0.054
2	F	-0.174
3	O	-0.413
4	H	0.099
5	H	0.124
6	H	0.310

	x	y	z	Total
	-0.610	0.600	1.380	1.624
CHELPG
AIM
ESP

	x	y	z
x	2.647	0.196	-0.057
y	0.196	2.582	-0.147
z	-0.057	-0.147	2.509

<r²>	42.074
(<r²>)^1/2	6.486

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)