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	hartrees
Energy at 0K	-211.959456
Energy at 298.15K
HF Energy	-211.959456
Nuclear repulsion energy	76.238129

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	3691	3294	36.57	42.72	0.29	0.45
2	A	3277	2924	14.94	36.99	0.60	0.75
3	A	3146	2807	36.10	41.42	0.18	0.31
4	A	1640	1463	1.96	12.19	0.74	0.85
5	A	1572	1403	23.25	14.07	0.68	0.81
6	A	1491	1331	19.81	3.47	0.74	0.85
7	A	1288	1150	2.66	8.41	0.71	0.83
8	A	1170	1044	46.73	3.02	0.61	0.76
9	A	1100	981	11.89	5.30	0.28	0.43
10	A	1037	926	29.65	0.93	0.51	0.68
11	A	491	438	24.95	1.62	0.68	0.81
12	A	360	321	60.27	8.41	0.75	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.042	0.524	0.051
F2	1.164	-0.324	-0.035
O3	-1.208	-0.218	-0.119
H4	0.074	1.073	1.038
H5	0.052	1.280	-0.778
H6	-1.194	-0.844	0.697

	C1	F2	O3	H4	H5	H6
C1		1.4095	1.4629	1.1293	1.1225	1.9531
F2	1.4095		2.3758	2.0711	2.0884	2.5231
O3	1.4629	2.3758		2.1560	2.0656	1.0286
H4	1.1293	2.0711	2.1560		1.8276	2.3240
H5	1.1225	2.0884	2.0656	1.8276		2.8708
H6	1.9531	2.5231	1.0286	2.3240	2.8708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	101.821	F2	C1	O3	111.593
F2	C1	H4	108.832	F2	C1	H5	110.627
O3	C1	H4	111.913	O3	C1	H5	105.299
H4	C1	H5	108.508

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/STO-3G

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	0.042
2	F	-0.106
3	O	-0.241
4	H	0.060
5	H	0.076
6	H	0.170

	x	y	z	Total
	0.076	0.268	1.114	1.148
CHELPG
AIM
ESP

	x	y	z
x	1.499	0.185	-0.077
y	0.185	1.418	-0.281
z	-0.077	-0.281	1.228

<r²>	43.801
(<r²>)^1/2	6.618

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)