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	hartrees
Energy at 0K	-214.653629
Energy at 298.15K
HF Energy	-214.540510
Nuclear repulsion energy	77.099397

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	3664	3664	20.10	90.11	0.31	0.47
2	A	3227	3227	32.91	68.89	0.47	0.64
3	A	3102	3102	59.01	97.82	0.15	0.26
4	A	1578	1578	1.35	11.56	0.72	0.84
5	A	1469	1469	32.16	8.96	0.75	0.86
6	A	1397	1397	13.59	9.13	0.74	0.85
7	A	1249	1249	7.00	10.96	0.73	0.84
8	A	1095	1095	73.55	5.87	0.29	0.45
9	A	1053	1053	167.51	2.44	0.75	0.86
10	A	967	967	119.64	5.88	0.31	0.47
11	A	517	517	104.46	3.32	0.66	0.80
12	A	400	400	126.22	7.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.529	0.050
F2	1.175	-0.314	-0.028
O3	-1.176	-0.219	-0.114
H4	0.067	1.027	1.021
H5	0.044	1.229	-0.779
H6	-1.310	-0.852	0.619

	C1	F2	O3	H4	H5	H6
C1		1.4428	1.4082	1.0929	1.0855	1.9900
F2	1.4428		2.3541	2.0308	2.0550	2.6227
O3	1.4082	2.3541		2.0938	2.0068	0.9769
H4	1.0929	2.0308	2.0938		1.8107	2.3634
H5	1.0855	2.0550	2.0068	1.8107		2.8485
H6	1.9900	2.6227	0.9769	2.3634	2.8485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	111.813	F2	C1	O3	111.314
F2	C1	H4	105.606	F2	C1	H5	107.911
O3	C1	H4	113.079	O3	C1	H5	106.451
H4	C1	H5	112.446

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP/6-31G

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	0.268
2	F	-0.366
3	O	-0.604
4	H	0.143
5	H	0.173
6	H	0.385

	x	y	z	Total
	-0.813	0.898	1.770	2.145
CHELPG
AIM
ESP

	x	y	z
x	2.403	0.224	-0.039
y	0.224	2.178	-0.229
z	-0.039	-0.229	2.033

<r²>	44.449
(<r²>)^1/2	6.667

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)