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	hartrees
Energy at 0K	-215.065032
Energy at 298.15K
HF Energy	-215.065032
Nuclear repulsion energy	78.912718

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	3801	3801	47.03	76.61	0.19	0.31
2	A	3118	3118	26.75	64.68	0.47	0.64
3	A	3032	3032	53.97	116.99	0.10	0.17
4	A	1527	1527	1.34	3.73	0.74	0.85
5	A	1437	1437	23.60	1.48	0.74	0.85
6	A	1393	1393	17.98	2.62	0.46	0.63
7	A	1260	1260	8.43	3.17	0.56	0.72
8	A	1129	1129	118.82	5.28	0.12	0.22
9	A	1062	1062	100.79	0.57	0.22	0.36
10	A	978	978	182.31	4.07	0.44	0.61
11	A	535	535	25.38	1.15	0.48	0.65
12	A	385	385	112.41	1.73	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.512	0.047
F2	1.138	-0.311	-0.024
O3	-1.144	-0.219	-0.120
H4	0.065	1.012	1.016
H5	0.073	1.220	-0.778
H6	-1.304	-0.758	0.662

	C1	F2	O3	H4	H5	H6
C1		1.3963	1.3785	1.0924	1.0877	1.9301
F2	1.3963		2.2861	1.9966	2.0111	2.5755
O3	1.3785	2.2861		2.0659	1.9958	0.9631
H4	1.0924	1.9966	2.0659		1.8059	2.2654
H5	1.0877	2.0111	1.9958	1.8059		2.8070
H6	1.9301	2.5755	0.9631	2.2654	2.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.750	F2	C1	O3	110.949
F2	C1	H4	106.051	F2	C1	H5	107.472
O3	C1	H4	112.954	O3	C1	H5	107.459
H4	C1	H5	111.860

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/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	0.248
2	F	-0.745
3	O	-0.739
4	H	0.539
5	H	0.527
6	H	0.171

	x	y	z	Total
	-0.843	0.883	1.454	1.899
CHELPG
AIM
ESP

	x	y	z
x	3.555	0.123	-0.038
y	0.123	3.278	-0.052
z	-0.038	-0.052	3.087

<r²>	42.927
(<r²>)^1/2	6.552

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)