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	hartrees
Energy at 0K	-214.907940
Energy at 298.15K
HF Energy	-214.907940
Nuclear repulsion energy	78.506257

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	3682	3682	11.35	82.67	0.32	0.48
2	A	3068	3068	56.49	78.69	0.45	0.62
3	A	2956	2956	94.19	106.67	0.17	0.29
4	A	1508	1508	3.75	8.08	0.73	0.85
5	A	1443	1443	47.43	7.83	0.75	0.86
6	A	1391	1391	12.02	6.16	0.75	0.85
7	A	1246	1246	7.67	8.30	0.72	0.84
8	A	1106	1106	111.53	3.56	0.26	0.41
9	A	1059	1059	108.33	1.42	0.61	0.76
10	A	954	954	180.12	3.07	0.54	0.70
11	A	541	541	56.59	2.26	0.62	0.77
12	A	420	420	112.92	5.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.512	0.049
F2	1.147	-0.308	-0.028
O3	-1.154	-0.217	-0.117
H4	0.068	1.015	1.027
H5	0.054	1.226	-0.780
H6	-1.266	-0.800	0.649

	C1	F2	O3	H4	H5	H6
C1		1.4041	1.3831	1.1018	1.0947	1.9253
F2	1.4041		2.3044	2.0074	2.0278	2.5535
O3	1.3831	2.3044		2.0787	1.9952	0.9688
H4	1.1018	2.0074	2.0787		1.8190	2.2838
H5	1.0947	2.0278	1.9952	1.8190		2.8082
H6	1.9253	2.5535	0.9688	2.2838	2.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.605	F2	C1	O3	111.536
F2	C1	H4	105.837	F2	C1	H5	107.848
O3	C1	H4	113.064	O3	C1	H5	106.689
H4	C1	H5	111.820

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/6-311G*

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	0.039
2	F	-0.271
3	O	-0.506
4	H	0.168
5	H	0.191
6	H	0.380

	x	y	z	Total
	-0.759	0.618	1.538	1.823
CHELPG
AIM
ESP

	x	y	z
x	2.617	0.230	-0.048
y	0.230	2.489	-0.168
z	-0.048	-0.168	2.363

<r²>	42.971
(<r²>)^1/2	6.555

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)