SPARTAN'24 MECHANICS PROGRAM:   (Mx/macOS)                       build  1.2.0llvmGf


 Frequency Calculation

  Adjusted 10 (out of 39) low frequency modes

  Reason for exit: Successful completion 
  Mechanics CPU Time :       0.1400
  Mechanics Wall Time:       0.0278


SPARTAN'24 Quantum Mechanics Program:  (x86/macOS)    build  1.2.0int23e

Job type: Geometry optimization.
Method: RHF
Basis set: 6-311+G(2DF,2P)
Number of basis functions: 217
Charge :     +1 
Number of electrons: 40
Parallel Job: 2 threads

SCF model:
 A restricted Hartree-Fock SCF calculation will be
 performed using Pulay DIIS + Geometric Direct Minimization


Optimization:
         Step      Energy          Max Grad.      Max Dist. 
            1     -304.571915       0.027461       0.193783
            2     -304.574059       0.003025       0.003780
            3     -304.574080       0.002941       0.003780
            4     -304.574091       0.002869       0.149342
            5     -304.574146       0.002421       0.138037
            6     -304.573862       0.002370       0.108059
            7     -304.574221       0.002041       0.137608
            8     -304.574165       0.001572       0.189614
            9     -304.574171       0.002619       0.151858
           10     -304.574289       0.001180       0.094566
           11     -304.574323       0.000732       0.103659
           12     -304.574267       0.001187       0.095944
           13     -304.574354       0.000537       0.070654
           14     -304.574349       0.000645       0.053355

<step 2>
Job type: Frequency calculation.
Method: RHF
Basis set: 6-311+G(2DF,2P)

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      9:48.65
  Quantum Calculation Wall Time:      4:58.81



SPARTAN'24 Properties Program:  (Mx/macOS)                  build  1.2.0llvmGf 
  Alert: F shells not fully supported 
   ...Dropping F/G parts during analysis
   Cleaning up wavefunction #           3
 Zeroing Fs

  Temperature Corrections for   298.15 K 


  Reason for exit: Successful completion 
  Properties CPU Time :       0.0700
  Properties Wall Time:       0.0769


