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	hartrees
Energy at 0K	-213.909081
Energy at 298.15K
HF Energy	-213.909081
Nuclear repulsion energy	80.303668

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	4171	3765	67.51	63.00	0.30	0.46
2	A	3311	2989	63.45	65.39	0.47	0.64
3	A	3216	2903	85.52	93.93	0.15	0.26
4	A	1689	1524	6.76	8.55	0.73	0.85
5	A	1609	1453	69.55	4.84	0.75	0.86
6	A	1512	1365	34.62	6.30	0.75	0.86
7	A	1387	1252	13.66	7.03	0.73	0.85
8	A	1269	1145	196.07	4.63	0.37	0.54
9	A	1194	1077	153.34	3.20	0.34	0.51
10	A	1138	1027	81.09	2.23	0.58	0.73
11	A	592	534	44.29	1.46	0.65	0.79
12	A	389	351	147.45	3.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.506	0.047
F2	1.109	-0.311	-0.028
O3	-1.129	-0.206	-0.110
H4	0.073	1.006	1.009
H5	0.078	1.221	-0.760
H6	-1.233	-0.819	0.600

	C1	F2	O3	H4	H5	H6
C1		1.3614	1.3633	1.0849	1.0793	1.9073
F2	1.3614		2.2419	1.9707	1.9860	2.4770
O3	1.3633	2.2419		2.0412	1.9782	0.9443
H4	1.0849	1.9707	2.0412		1.7815	2.2810
H5	1.0793	1.9860	1.9782	1.7815		2.7798
H6	1.9073	2.4770	0.9443	2.2810	2.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.165	F2	C1	O3	110.734
F2	C1	H4	106.790	F2	C1	H5	108.369
O3	C1	H4	112.486	O3	C1	H5	107.606
H4	C1	H5	110.808

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/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	0.474
2	F	-0.410
3	O	-0.618
4	H	0.090
5	H	0.117
6	H	0.347

	x	y	z	Total
	-0.573	0.731	1.520	1.781
CHELPG
AIM
ESP

	x	y	z
x	2.154	0.194	-0.034
y	0.194	2.215	-0.164
z	-0.034	-0.164	2.173

<r²>	41.380
(<r²>)^1/2	6.433

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)