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	hartrees
Energy at 0K	-214.733765
Energy at 298.15K
HF Energy	-214.733765
Nuclear repulsion energy	79.376883

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	3806	3627	32.36	75.46	0.30	0.47
2	A	3153	3005	50.68	71.10	0.45	0.62
3	A	3051	2908	79.85	94.63	0.16	0.28
4	A	1564	1491	2.81	10.04	0.72	0.84
5	A	1487	1417	60.38	7.69	0.75	0.86
6	A	1423	1356	18.69	6.69	0.75	0.86
7	A	1283	1223	4.73	9.65	0.72	0.84
8	A	1184	1129	158.14	3.23	0.32	0.49
9	A	1108	1056	144.28	3.25	0.32	0.49
10	A	1061	1011	66.29	2.30	0.65	0.79
11	A	553	527	44.79	1.87	0.65	0.79
12	A	397	378	123.02	4.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.504	0.049
F2	1.127	-0.309	-0.029
O3	-1.143	-0.211	-0.116
H4	0.069	1.015	1.022
H5	0.060	1.229	-0.768
H6	-1.243	-0.806	0.640

	C1	F2	O3	H4	H5	H6
C1		1.3767	1.3740	1.0997	1.0933	1.9128
F2	1.3767		2.2735	1.9938	2.0127	2.5124
O3	1.3740	2.2735		2.0650	1.9867	0.9671
H4	1.0997	1.9938	2.0650		1.8029	2.2766
H5	1.0933	2.0127	1.9867	1.8029		2.7972
H6	1.9128	2.5124	0.9671	2.2766	2.7972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.330	F2	C1	O3	111.489
F2	C1	H4	106.710	F2	C1	H5	108.602
O3	C1	H4	112.717	O3	C1	H5	106.707
H4	C1	H5	110.591

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBE1PBE/6-31G**

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	0.177
2	F	-0.311
3	O	-0.596
4	H	0.142
5	H	0.169
6	H	0.418

	x	y	z	Total
	-0.574	0.535	1.476	1.671
CHELPG
AIM
ESP

	x	y	z
x	2.362	0.228	-0.037
y	0.228	2.358	-0.182
z	-0.037	-0.182	2.298

<r²>	42.063
(<r²>)^1/2	6.486

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)