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	hartrees
Energy at 0K	-213.574030
Energy at 298.15K
HF Energy	-213.574030
Nuclear repulsion energy	77.704524

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	3549	3419	6.40	92.84	0.32	0.48
2	A	3145	3029	47.41	77.45	0.41	0.58
3	A	3032	2921	84.28	88.81	0.20	0.33
4	A	1589	1531	1.51	14.66	0.72	0.84
5	A	1483	1428	31.39	9.91	0.74	0.85
6	A	1418	1366	16.36	10.30	0.75	0.86
7	A	1277	1230	6.52	12.25	0.72	0.84
8	A	1108	1067	110.11	3.81	0.45	0.62
9	A	1083	1043	105.57	4.39	0.38	0.55
10	A	1025	988	93.17	2.77	0.32	0.49
11	A	534	514	80.50	2.60	0.68	0.81
12	A	391	377	117.94	8.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.514	0.051
F2	1.159	-0.312	-0.030
O3	-1.173	-0.212	-0.114
H4	0.072	1.038	1.015
H5	0.036	1.234	-0.768
H6	-1.274	-0.852	0.635

	C1	F2	O3	H4	H5	H6
C1		1.4092	1.4067	1.0983	1.0905	1.9702
F2	1.4092		2.3362	2.0240	2.0482	2.5792
O3	1.4067	2.3362		2.0944	1.9954	0.9909
H4	1.0983	2.0240	2.0944		1.7938	2.3508
H5	1.0905	2.0482	1.9954	1.7938		2.8351
H6	1.9702	2.5792	0.9909	2.3508	2.8351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.299	F2	C1	O3	112.127
F2	C1	H4	106.988	F2	C1	H5	109.382
O3	C1	H4	112.880	O3	C1	H5	105.384
H4	C1	H5	110.072

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HSEh1PBE/3-21G

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	0.111
2	F	-0.314
3	O	-0.579
4	H	0.189
5	H	0.228
6	H	0.365

	x	y	z	Total
	-0.570	0.613	1.614	1.818
CHELPG
AIM
ESP

	x	y	z
x	2.121	0.255	-0.049
y	0.255	2.066	-0.259
z	-0.049	-0.259	1.945

<r²>	43.580
(<r²>)^1/2	6.601

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)