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	hartrees
Energy at 0K	-212.005291
Energy at 298.15K
HF Energy	-212.005291
Nuclear repulsion energy	76.104093

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	3656	3656	40.80	42.43	0.29	0.45
2	A	3276	3276	16.35	38.12	0.60	0.75
3	A	3142	3142	37.89	42.65	0.19	0.31
4	A	1640	1640	2.43	12.56	0.74	0.85
5	A	1572	1572	23.03	14.40	0.68	0.81
6	A	1486	1486	22.85	3.64	0.74	0.85
7	A	1285	1285	2.71	8.29	0.71	0.83
8	A	1160	1160	50.43	2.83	0.57	0.73
9	A	1093	1093	12.14	5.38	0.28	0.44
10	A	1028	1028	30.32	0.90	0.53	0.70
11	A	488	488	25.21	1.70	0.68	0.81
12	A	374	374	54.94	8.67	0.75	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.042	0.522	0.051
F2	1.168	-0.322	-0.035
O3	-1.211	-0.219	-0.121
H4	0.073	1.071	1.039
H5	0.050	1.278	-0.780
H6	-1.202	-0.829	0.712

	C1	F2	O3	H4	H5	H6
C1		1.4110	1.4656	1.1301	1.1233	1.9517
F2	1.4110		2.3830	2.0724	2.0898	2.5365
O3	1.4656	2.3830		2.1583	2.0652	1.0321
H4	1.1301	2.0724	2.1583		1.8302	2.3117
H5	1.1233	2.0898	2.0652	1.8302		2.8691
H6	1.9517	2.5365	1.0321	2.3117	2.8691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	101.356	F2	C1	O3	111.858
F2	C1	H4	108.783	F2	C1	H5	110.585
O3	C1	H4	111.855	O3	C1	H5	105.058
H4	C1	H5	108.626

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: TPSSh/STO-3G

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	0.047
2	F	-0.102
3	O	-0.232
4	H	0.054
5	H	0.069
6	H	0.164

	x	y	z	Total
	0.063	0.253	1.098	1.129
CHELPG
AIM
ESP

	x	y	z
x	1.526	0.187	-0.083
y	0.187	1.407	-0.283
z	-0.083	-0.283	1.249

<r²>	43.956
(<r²>)^1/2	6.630

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)