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	hartrees
Energy at 0K	-6989.874519
Energy at 298.15K
HF Energy	-6989.874519
Nuclear repulsion energy	210.675534

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'	3237	3237	6.85	48.92	0.16	0.28
2	A'	1638	1638	0.80	14.40	0.73	0.84
3	A'	1384	1384	79.85	3.52	0.67	0.80
4	A'	1216	1216	78.37	3.05	0.71	0.83
5	A'	604	604	34.19	18.17	0.32	0.49
6	A'	292	292	2.05	5.23	0.53	0.69
7	A"	3350	3350	7.91	39.04	0.75	0.86
8	A"	1296	1296	3.54	8.87	0.75	0.86
9	A"	922	922	0.66	4.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.511	-1.513	0.000
F2	-0.593	-2.356	0.000
I3	0.000	0.635	0.000
H4	1.136	-1.680	0.910
H5	1.136	-1.680	-0.910

	C1	F2	I3	H4	H5
C1		1.3891	2.2075	1.1171	1.1171
F2	1.3891		3.0493	2.0682	2.0682
I3	2.2075	3.0493		2.7343	2.7343
H4	1.1171	2.0682	2.7343		1.8206
H5	1.1171	2.0682	2.7343	1.8206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	114.015	F2	C1	H4	110.757
F2	C1	H5	110.757	I3	C1	H4	105.947
I3	C1	H5	105.947	H4	C1	H5	109.148

All results from a given calculation for CH₂FI (fluoroiodomethane)

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	-0.084
2	F	-0.054
3	I	-0.041
4	H	0.090
5	H	0.090

	x	y	z	Total
	1.002	-1.569	0.000	1.861
CHELPG
AIM
ESP

	x	y	z
x	1.298	-0.430	0.000
y	-0.430	4.583	0.000
z	0.000	0.000	1.012

<r²>	122.278
(<r²>)^1/2	11.058

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)