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	hartrees
Energy at 0K	-214.904136
Energy at 298.15K
HF Energy	-214.904136
Nuclear repulsion energy	78.936122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3851	3698	48.88
2	A	3157	3031	30.35
3	A	3055	2934	62.15
4	A	1529	1468	3.15
5	A	1442	1384	36.80
6	A	1386	1331	13.80
7	A	1259	1208	5.68
8	A	1162	1116	160.06
9	A	1065	1023	108.03
10	A	999	959	166.28
11	A	540	518	41.72
12	A	402	386	135.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.512	0.048
F2	1.137	-0.310	-0.027
O3	-1.144	-0.216	-0.118
H4	0.069	1.010	1.024
H5	0.068	1.226	-0.775
H6	-1.278	-0.789	0.647

	C1	F2	O3	H4	H5	H6
C1		1.3969	1.3748	1.0973	1.0917	1.9263
F2	1.3969		2.2851	1.9969	2.0159	2.5528
O3	1.3748	2.2851		2.0688	1.9953	0.9651
H4	1.0973	1.9969	2.0688		1.8126	2.2790
H5	1.0917	2.0159	1.9953	1.8126		2.8099
H6	1.9263	2.5528	0.9651	2.2790	2.8099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.576	F2	C1	O3	111.058
F2	C1	H4	105.754	F2	C1	H5	107.569
O3	C1	H4	113.140	O3	C1	H5	107.429
H4	C1	H5	111.795

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3PW91/6-31+G**

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	0.166
2	F	-0.329
3	O	-0.484
4	H	0.134
5	H	0.153
6	H	0.359

	x	y	z	Total
	-0.817	0.854	1.587	1.979
CHELPG
AIM
ESP

	x	y	z
x	3.036	0.140	-0.027
y	0.140	2.804	-0.052
z	-0.027	-0.052	2.646

<r²>	42.831
(<r²>)^1/2	6.545

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)