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	hartrees
Energy at 0K	-214.885111
Energy at 298.15K
HF Energy	-214.885111
Nuclear repulsion energy	79.175749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3848	3688	32.06
2	A	3121	2991	51.29
3	A	3021	2896	80.78
4	A	1543	1479	2.89
5	A	1470	1409	49.73
6	A	1404	1346	19.79
7	A	1271	1218	5.23
8	A	1167	1119	148.89
9	A	1089	1044	146.59
10	A	1045	1002	76.16
11	A	546	523	40.63
12	A	393	377	121.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.505	0.048
F2	1.132	-0.309	-0.028
O3	-1.145	-0.213	-0.116
H4	0.067	1.019	1.020
H5	0.060	1.229	-0.771
H6	-1.255	-0.796	0.645

	C1	F2	O3	H4	H5	H6
C1		1.3826	1.3764	1.1002	1.0940	1.9151
F2	1.3826		2.2812	1.9988	2.0167	2.5275
O3	1.3764	2.2812		2.0684	1.9904	0.9648
H4	1.1002	1.9988	2.0684		1.8030	2.2765
H5	1.0940	2.0167	1.9904	1.8030		2.7990
H6	1.9151	2.5275	0.9648	2.2765	2.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.490	F2	C1	O3	111.545
F2	C1	H4	106.680	F2	C1	H5	108.471
O3	C1	H4	112.798	O3	C1	H5	106.796
H4	C1	H5	110.514

All results from a given calculation for CH₂FOH (fluoromethanol)

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

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	0.274
2	F	-0.316
3	O	-0.517
4	H	0.101
5	H	0.128
6	H	0.330

	x	y	z	Total
	-0.622	0.564	1.464	1.688
CHELPG
AIM
ESP

	x	y	z
x	2.429	0.231	-0.043
y	0.231	2.399	-0.181
z	-0.043	-0.181	2.342

<r²>	42.220
(<r²>)^1/2	6.498

All results from a given calculation for CH2FOH (fluoromethanol)

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

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)