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	hartrees
Energy at 0K	-214.961623
Energy at 298.15K
HF Energy	-214.961623
Nuclear repulsion energy	76.774921

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	3696	3553	21.90	89.27	0.29	0.45
2	A	3210	3085	30.31	59.80	0.46	0.63
3	A	3082	2963	73.19	99.23	0.12	0.22
4	A	1516	1457	0.97	8.20	0.75	0.86
5	A	1435	1379	20.63	6.41	0.75	0.86
6	A	1356	1304	13.10	7.88	0.74	0.85
7	A	1212	1165	6.24	9.30	0.71	0.83
8	A	1088	1045	87.27	6.01	0.24	0.38
9	A	1038	998	157.71	2.44	0.75	0.86
10	A	914	878	152.72	6.97	0.32	0.48
11	A	506	487	97.12	3.47	0.65	0.78
12	A	399	383	140.00	7.52	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.001	0.537	0.050
F2	1.178	-0.316	-0.027
O3	-1.175	-0.223	-0.114
H4	0.069	1.032	1.027
H5	0.047	1.233	-0.787
H6	-1.315	-0.858	0.620

	C1	F2	O3	H4	H5	H6
C1		1.4579	1.4082	1.0979	1.0901	1.9992
F2	1.4579		2.3568	2.0398	2.0637	2.6321
O3	1.4082	2.3568		2.1042	2.0172	0.9802
H4	1.0979	2.0398	2.1042		1.8261	2.3781
H5	1.0901	2.0637	2.0172	1.8261		2.8651
H6	1.9992	2.6321	0.9802	2.3781	2.8651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	112.418	F2	C1	O3	110.621
F2	C1	H4	105.019	F2	C1	H5	107.296
O3	C1	H4	113.625	O3	C1	H5	106.999
H4	C1	H5	113.140

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/LANL2DZ

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	-0.045
2	F	-0.290
3	O	-0.453
4	H	0.195
5	H	0.222
6	H	0.372

	x	y	z	Total
	-1.012	1.070	1.836	2.354
CHELPG
AIM
ESP

	x	y	z
x	2.492	0.198	-0.033
y	0.198	2.195	-0.222
z	-0.033	-0.222	2.018

<r²>	44.698
(<r²>)^1/2	6.686

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)