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	hartrees
Energy at 0K	-214.942547
Energy at 298.15K
HF Energy	-214.942547
Nuclear repulsion energy	78.532917

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	3730	3678	29.17	76.51	0.25	0.41
2	A	3051	3008	44.07	74.09	0.46	0.63
3	A	2959	2917	72.74	115.33	0.12	0.22
4	A	1494	1473	2.02	5.51	0.70	0.82
5	A	1414	1394	29.08	3.81	0.75	0.86
6	A	1377	1358	14.25	3.42	0.72	0.84
7	A	1236	1219	6.78	5.30	0.68	0.81
8	A	1097	1082	92.33	4.00	0.21	0.35
9	A	1040	1025	113.41	0.77	0.55	0.71
10	A	951	938	174.24	2.89	0.59	0.74
11	A	526	519	25.98	1.91	0.59	0.74
12	A	395	389	104.08	3.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.011	0.511	0.046
F2	1.147	-0.309	-0.025
O3	-1.152	-0.221	-0.121
H4	0.063	1.017	1.021
H5	0.065	1.223	-0.782
H6	-1.297	-0.753	0.673

	C1	F2	O3	H4	H5	H6
C1		1.4023	1.3846	1.0993	1.0939	1.9241
F2	1.4023		2.3027	2.0069	2.0225	2.5801
O3	1.3846	2.3027		2.0767	2.0009	0.9664
H4	1.0993	2.0069	2.0767		1.8146	2.2598
H5	1.0939	2.0225	2.0009	1.8146		2.8067
H6	1.9241	2.5801	0.9664	2.2598	2.8067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.546	F2	C1	O3	111.430
F2	C1	H4	106.049	F2	C1	H5	107.592
O3	C1	H4	112.957	O3	C1	H5	107.082
H4	C1	H5	111.659

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/cc-pVTZ

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	0.233
2	F	-0.232
3	O	-0.281
4	H	0.021
5	H	0.056
6	H	0.203

	x	y	z	Total
	-0.830	0.717	1.405	1.783
CHELPG
AIM
ESP

	x	y	z
x	3.065	0.189	-0.053
y	0.189	2.849	-0.119
z	-0.053	-0.119	2.719

<r²>	42.986
(<r²>)^1/2	6.556

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)