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	hartrees
Energy at 0K	-214.012050
Energy at 298.15K
HF Energy	-214.012050
Nuclear repulsion energy	80.531033

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	4153	3772	77.56	56.25	0.22	0.37
2	A	3280	2980	45.20	59.60	0.44	0.61
3	A	3197	2904	72.21	103.55	0.11	0.19
4	A	1673	1520	2.84	3.54	0.71	0.83
5	A	1588	1443	39.61	1.15	0.71	0.83
6	A	1509	1371	32.51	2.45	0.73	0.84
7	A	1386	1259	14.79	2.77	0.69	0.82
8	A	1249	1134	178.95	4.45	0.24	0.39
9	A	1176	1069	150.98	1.84	0.32	0.49
10	A	1127	1024	105.03	2.36	0.59	0.74
11	A	595	541	30.19	1.15	0.54	0.70
12	A	381	346	131.53	1.71	0.75	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	0.504	0.046
F2	1.106	-0.312	-0.025
O3	-1.124	-0.207	-0.114
H4	0.072	1.002	1.006
H5	0.087	1.214	-0.762
H6	-1.268	-0.776	0.621

	C1	F2	O3	H4	H5	H6
C1		1.3560	1.3602	1.0823	1.0775	1.9079
F2	1.3560		2.2337	1.9637	1.9767	2.5038
O3	1.3602	2.2337		2.0364	1.9765	0.9402
H4	1.0823	1.9637	2.0364		1.7804	2.2599
H5	1.0775	1.9767	1.9765	1.7804		2.7765
H6	1.9079	2.5038	0.9402	2.2599	2.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.737	F2	C1	O3	110.640
F2	C1	H4	106.753	F2	C1	H5	108.096
O3	C1	H4	112.471	O3	C1	H5	107.782
H4	C1	H5	111.036

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/cc-pVQZ

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	0.489
2	F	-0.331
3	O	-0.438
4	H	-0.014
5	H	0.047
6	H	0.247

	x	y	z	Total
	-0.697	0.854	1.483	1.848
CHELPG
AIM
ESP

	x	y	z
x	2.774	0.127	-0.031
y	0.127	2.676	-0.080
z	-0.031	-0.080	2.553

<r²>	41.353
(<r²>)^1/2	6.431

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)