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	hartrees
Energy at 0K	-214.971316
Energy at 298.15K
HF Energy	-214.971316
Nuclear repulsion energy	79.577405

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	3895	3895	62.54	66.82	0.21	0.35
2	A	3149	3149	25.12	56.78	0.48	0.65
3	A	3065	3065	50.02	102.42	0.10	0.18
4	A	1546	1546	1.22	3.86	0.75	0.86
5	A	1462	1462	27.39	1.36	0.75	0.86
6	A	1399	1399	21.18	2.86	0.64	0.78
7	A	1284	1284	8.82	3.25	0.61	0.76
8	A	1179	1179	152.73	4.18	0.15	0.25
9	A	1091	1091	167.92	2.39	0.24	0.38
10	A	1051	1051	74.23	2.48	0.57	0.72
11	A	554	554	30.26	1.07	0.49	0.66
12	A	381	381	118.58	1.76	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.510	0.047
F2	1.121	-0.313	-0.026
O3	-1.135	-0.213	-0.118
H4	0.070	1.009	1.018
H5	0.080	1.223	-0.772
H6	-1.276	-0.776	0.647

	C1	F2	O3	H4	H5	H6
C1		1.3762	1.3725	1.0924	1.0876	1.9217
F2	1.3762		2.2599	1.9850	1.9995	2.5326
O3	1.3725	2.2599		2.0581	1.9912	0.9603
H4	1.0924	1.9850	2.0581		1.8022	2.2663
H5	1.0876	1.9995	1.9912	1.8022		2.8012
H6	1.9217	2.5326	0.9603	2.2663	2.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.664	F2	C1	O3	110.609
F2	C1	H4	106.479	F2	C1	H5	107.920
O3	C1	H4	112.734	O3	C1	H5	107.507
H4	C1	H5	111.519

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: M06-2X/6-311+G(3df,2p)

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	0.467
2	F	-0.432
3	O	-0.590
4	H	0.157
5	H	0.159
6	H	0.238

	x	y	z	Total
	-0.717	0.851	1.469	1.843
CHELPG
AIM
ESP

	x	y	z
x	3.216	0.128	-0.038
y	0.128	3.001	-0.062
z	-0.038	-0.062	2.832

<r²>	42.225
(<r²>)^1/2	6.498

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)