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	hartrees
Energy at 0K	-214.793228
Energy at 298.15K
HF Energy	-214.624219
Nuclear repulsion energy	78.984754

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	3807	3648	39.86	72.87	0.29	0.45
2	A	3149	3018	49.19	76.95	0.48	0.64
3	A	3046	2919	78.08	109.94	0.14	0.25
4	A	1528	1464	5.18	8.49	0.72	0.84
5	A	1462	1401	51.04	5.17	0.75	0.85
6	A	1411	1352	12.80	5.28	0.75	0.86
7	A	1269	1216	6.27	7.60	0.71	0.83
8	A	1165	1117	157.73	3.35	0.31	0.47
9	A	1081	1035	98.50	2.13	0.39	0.56
10	A	1029	986	115.58	3.09	0.56	0.72
11	A	550	527	37.29	1.97	0.62	0.77
12	A	397	380	110.30	4.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.509	0.048
F2	1.134	-0.310	-0.028
O3	-1.146	-0.216	-0.117
H4	0.069	1.021	1.025
H5	0.062	1.232	-0.777
H6	-1.245	-0.794	0.653

	C1	F2	O3	H4	H5	H6
C1		1.3891	1.3780	1.1045	1.0985	1.9098
F2	1.3891		2.2836	2.0034	2.0216	2.5213
O3	1.3780	2.2836		2.0770	1.9981	0.9676
H4	1.1045	2.0034	2.0770		1.8146	2.2718
H5	1.0985	2.0216	1.9981	1.8146		2.8030
H6	1.9098	2.5213	0.9676	2.2718	2.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.735	F2	C1	O3	111.230
F2	C1	H4	106.353	F2	C1	H5	108.145
O3	C1	H4	113.114	O3	C1	H5	107.032
H4	C1	H5	110.906

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

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	0.327
2	F	-0.267
3	O	-0.254
4	H	0.010
5	H	0.032
6	H	0.152

	x	y	z	Total
	-0.730	0.650	1.408	1.714
CHELPG
AIM
ESP

	x	y	z
x	2.427	0.211	-0.045
y	0.211	2.364	-0.172
z	-0.045	-0.172	2.265

<r²>	42.441
(<r²>)^1/2	6.515

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)