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	hartrees
Energy at 0K	-215.006912
Energy at 298.15K
HF Energy	-215.006912
Nuclear repulsion energy	79.400859

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	3866	3866	50.69	72.54	0.18	0.31
2	A	3136	3136	27.88	62.89	0.46	0.63
3	A	3048	3048	56.04	115.71	0.09	0.17
4	A	1531	1531	1.35	3.64	0.73	0.85
5	A	1444	1444	25.69	1.41	0.74	0.85
6	A	1402	1402	17.25	2.55	0.47	0.64
7	A	1272	1272	7.17	3.17	0.56	0.72
8	A	1162	1162	140.79	4.43	0.13	0.22
9	A	1072	1072	117.08	1.17	0.17	0.29
10	A	1022	1022	142.45	3.51	0.47	0.64
11	A	547	547	25.42	1.09	0.49	0.66
12	A	386	386	113.39	1.60	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.507	0.046
F2	1.129	-0.310	-0.024
O3	-1.137	-0.216	-0.120
H4	0.065	1.011	1.015
H5	0.075	1.219	-0.775
H6	-1.294	-0.752	0.660

	C1	F2	O3	H4	H5	H6
C1		1.3830	1.3709	1.0933	1.0884	1.9179
F2	1.3830		2.2701	1.9888	2.0026	2.5565
O3	1.3709	2.2701		2.0593	1.9898	0.9593
H4	1.0933	1.9888	2.0593		1.8027	2.2545
H5	1.0884	2.0026	1.9898	1.8027		2.7966
H6	1.9179	2.5565	0.9593	2.2545	2.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.511	F2	C1	O3	111.036
F2	C1	H4	106.275	F2	C1	H5	107.659
O3	C1	H4	112.890	O3	C1	H5	107.461
H4	C1	H5	111.437

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: mPW1PW91/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	0.428
2	F	-0.756
3	O	-0.823
4	H	0.483
5	H	0.479
6	H	0.189

	x	y	z	Total
	-0.801	0.829	1.448	1.851
CHELPG
AIM
ESP

	x	y	z
x	3.445	0.124	-0.036
y	0.124	3.203	-0.051
z	-0.036	-0.051	3.025

<r²>	42.386
(<r²>)^1/2	6.510

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: mPW1PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)