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	hartrees
Energy at 0K	-213.684255
Energy at 298.15K
HF Energy	-213.684255
Nuclear repulsion energy	77.742304

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	3591	3443	10.74	95.86	0.32	0.49
2	A	3170	3039	36.88	68.72	0.42	0.59
3	A	3073	2946	63.02	79.56	0.18	0.30
4	A	1603	1536	2.13	14.16	0.74	0.85
5	A	1500	1438	34.87	8.98	0.74	0.85
6	A	1414	1356	18.12	11.02	0.75	0.86
7	A	1287	1234	7.71	11.30	0.73	0.84
8	A	1134	1087	154.81	3.54	0.68	0.81
9	A	1102	1057	47.00	5.76	0.27	0.43
10	A	1040	997	102.12	2.65	0.37	0.54
11	A	534	511	78.17	2.37	0.68	0.81
12	A	374	359	133.63	8.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.519	0.051
F2	1.154	-0.315	-0.031
O3	-1.173	-0.209	-0.112
H4	0.076	1.035	1.015
H5	0.046	1.236	-0.766
H6	-1.268	-0.871	0.619

	C1	F2	O3	H4	H5	H6
C1		1.4075	1.4100	1.0945	1.0878	1.9804
F2	1.4075		2.3310	2.0202	2.0434	2.5685
O3	1.4100	2.3310		2.0926	2.0001	0.9914
H4	1.0945	2.0202	2.0926		1.7927	2.3657
H5	1.0878	2.0434	2.0001	1.7927		2.8434
H6	1.9804	2.5685	0.9914	2.3657	2.8434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.883	F2	C1	O3	111.648
F2	C1	H4	107.030	F2	C1	H5	109.283
O3	C1	H4	112.734	O3	C1	H5	105.681
H4	C1	H5	110.468

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: M06-2X/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	0.165
2	F	-0.332
3	O	-0.597
4	H	0.180
5	H	0.218
6	H	0.366

	x	y	z	Total
	-0.526	0.675	1.635	1.845
CHELPG
AIM
ESP

	x	y	z
x	2.035	0.254	-0.049
y	0.254	2.031	-0.270
z	-0.049	-0.270	1.899

<r²>	43.573
(<r²>)^1/2	6.601

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)