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	hartrees
Energy at 0K	-214.788370
Energy at 298.15K
HF Energy	-214.788370
Nuclear repulsion energy	76.696379

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	3541	3541	8.71	98.36	0.31	0.47
2	A	3127	3127	43.52	80.97	0.45	0.62
3	A	2996	2996	77.93	108.63	0.16	0.28
4	A	1524	1524	1.33	11.90	0.70	0.82
5	A	1425	1425	28.38	10.08	0.75	0.86
6	A	1365	1365	9.87	8.98	0.75	0.85
7	A	1212	1212	5.95	11.83	0.71	0.83
8	A	1058	1058	36.05	6.12	0.31	0.47
9	A	1013	1013	186.65	1.78	0.68	0.81
10	A	916	916	135.77	4.62	0.35	0.52
11	A	508	508	102.75	3.74	0.67	0.81
12	A	403	403	102.33	8.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.528	0.050
F2	1.184	-0.312	-0.028
O3	-1.183	-0.222	-0.116
H4	0.064	1.031	1.027
H5	0.035	1.233	-0.784
H6	-1.310	-0.842	0.638

	C1	F2	O3	H4	H5	H6
C1		1.4511	1.4128	1.1006	1.0925	1.9861
F2	1.4511		2.3699	2.0427	2.0680	2.6350
O3	1.4128	2.3699		2.1051	2.0117	0.9843
H4	1.1006	2.0427	2.1051		1.8219	2.3549
H5	1.0925	2.0680	2.0117	1.8219		2.8522
H6	1.9861	2.6350	0.9843	2.3549	2.8522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.623	F2	C1	O3	111.680
F2	C1	H4	105.534	F2	C1	H5	107.950
O3	C1	H4	113.181	O3	C1	H5	106.126
H4	C1	H5	112.352

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/6-31G

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	0.199
2	F	-0.333
3	O	-0.557
4	H	0.144
5	H	0.175
6	H	0.373

	x	y	z	Total
	-0.841	0.808	1.718	2.076
CHELPG
AIM
ESP

	x	y	z
x	2.548	0.254	-0.038
y	0.254	2.274	-0.233
z	-0.038	-0.233	2.133

<r²>	44.686
(<r²>)^1/2	6.685

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)