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	hartrees
Energy at 0K	-214.989022
Energy at 298.15K
HF Energy	-214.989022
Nuclear repulsion energy	79.511786

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	3860	3860	51.39	73.16	0.18	0.31
2	A	3142	3142	28.22	63.79	0.47	0.64
3	A	3054	3054	56.41	117.13	0.09	0.17
4	A	1531	1531	1.45	3.73	0.74	0.85
5	A	1442	1442	26.14	1.44	0.74	0.85
6	A	1397	1397	17.05	2.63	0.48	0.65
7	A	1270	1270	7.15	3.24	0.56	0.72
8	A	1164	1164	145.30	4.43	0.13	0.23
9	A	1071	1071	125.83	1.39	0.17	0.29
10	A	1025	1025	133.18	3.35	0.48	0.65
11	A	545	545	26.52	1.07	0.49	0.66
12	A	384	384	112.82	1.65	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.507	0.046
F2	1.127	-0.310	-0.024
O3	-1.135	-0.216	-0.119
H4	0.066	1.009	1.014
H5	0.075	1.217	-0.774
H6	-1.291	-0.755	0.658

	C1	F2	O3	H4	H5	H6
C1		1.3812	1.3694	1.0911	1.0863	1.9166
F2	1.3812		2.2659	1.9857	1.9998	2.5511
O3	1.3694	2.2659		2.0564	1.9869	0.9588
H4	1.0911	1.9857	2.0564		1.7998	2.2535
H5	1.0863	1.9998	1.9869	1.7998		2.7938
H6	1.9166	2.5511	0.9588	2.2535	2.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.562	F2	C1	O3	110.931
F2	C1	H4	106.277	F2	C1	H5	107.680
O3	C1	H4	112.910	O3	C1	H5	107.463
H4	C1	H5	111.495

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B1B95/daug-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	-0.242
2	F	-0.704
3	O	-0.812
4	H	0.759
5	H	0.744
6	H	0.256

	x	y	z	Total
	-0.799	0.838	1.446	1.852
CHELPG
AIM
ESP

	x	y	z
x	3.434	0.126	-0.035
y	0.126	3.199	-0.053
z	-0.035	-0.053	3.023

<r²>	42.282
(<r²>)^1/2	6.502

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)