-------------------------------------------------------------
----------------------- !PROPERTIES! ------------------------
-------------------------------------------------------------
------------------------ !PROPERTY! -------------------------
   name:        PAL_Flags
   comment:     The PAL Flags
   geom. index: 1
   prop. index: 1
        Diskflag:     2
------------------------ !PROPERTY! -------------------------
   name:        SCF_Energy
   comment:     The SCF energy
   geom. index: 1
   prop. index: 1
        SCF Energy:     -197.5333924740
------------------------ !PROPERTY! -------------------------
   name:        PAL_Flags
   comment:     The PAL Flags
   geom. index: 2
   prop. index: 1
        Diskflag:     2
------------------------ !PROPERTY! -------------------------
   name:        SCF_Energy
   comment:     The SCF energy
   geom. index: 2
   prop. index: 1
        SCF Energy:     -197.5373162004
------------------------ !PROPERTY! -------------------------
   name:        PAL_Flags
   comment:     The PAL Flags
   geom. index: 3
   prop. index: 1
        Diskflag:     2
------------------------ !PROPERTY! -------------------------
   name:        SCF_Energy
   comment:     The SCF energy
   geom. index: 3
   prop. index: 1
        SCF Energy:     -197.5374003570
------------------------ !PROPERTY! -------------------------
   name:        PAL_Flags
   comment:     The PAL Flags
   geom. index: 4
   prop. index: 1
        Diskflag:     2
------------------------ !PROPERTY! -------------------------
   name:        SCF_Energy
   comment:     The SCF energy
   geom. index: 4
   prop. index: 1
        SCF Energy:     -197.5374048913
------------------------ !PROPERTY! -------------------------
   name:        PAL_Flags
   comment:     The PAL Flags
   geom. index: 5
   prop. index: 1
        Diskflag:     2
------------------------ !PROPERTY! -------------------------
   name:        SCF_Energy
   comment:     The SCF energy
   geom. index: 5
   prop. index: 1
        SCF Energy:     -197.5374050578
------------------------ !PROPERTY! -------------------------
   name:        SCF_Electric_Properties
   comment:     The SCF Calculated Electric Properties
   geom. index: 5
   prop. index: 1
       Filename                          : pentane.scfp 
       Do Dipole Moment Calculation      : 1 
       Do Quadrupole Moment Calculation  : 0 
       Do Polarizability Calculation     : 0 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.0894741386
        Electronic Contribution:
                   0          1          2    
      0      -0.000000  -0.000000  -0.587591
        Nuclear Contribution:
                   0          1          2    
      0       0.000000   0.000000   0.552389
        Total Dipole moment:
                   0          1          2    
      0      -0.000000   0.000000  -0.035201
------------------------ !PROPERTY! -------------------------
   name:        PAL_Flags
   comment:     The PAL Flags
   geom. index: 6
   prop. index: 1
        Diskflag:     2
------------------------ !PROPERTY! -------------------------
   name:        SCF_Energy
   comment:     The SCF energy
   geom. index: 6
   prop. index: 1
        SCF Energy:     -197.5374044404
------------------------ !PROPERTY! -------------------------
   name:        SCF_Electric_Properties
   comment:     The SCF Calculated Electric Properties
   geom. index: 6
   prop. index: 1
       Filename                          : pentane.scfp 
       Do Dipole Moment Calculation      : 1 
       Do Quadrupole Moment Calculation  : 0 
       Do Polarizability Calculation     : 0 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.0894518542
        Electronic Contribution:
                   0          1          2    
      0      -0.000000  -0.000000  -0.587582
        Nuclear Contribution:
                   0          1          2    
      0       0.000000   0.000000   0.552389
        Total Dipole moment:
                   0          1          2    
      0      -0.000000  -0.000000  -0.035192
------------------------ !PROPERTY! -------------------------
   name:        THERMOCHEMISTRY_Energies
   comment:     The Thermochemistry energies
   geom. index: 6
   prop. index: 1
        Temperature (Kelvin)           :        298.1500000000
        Pressure (atm)                 :          1.0000000000
        Total Mass (AMU)               :         72.1510000000
        Spin Degeneracy                :          1.0000000000
        Electronic Energy (Hartree)    :       -197.5374044404
        Translational Energy (Hartree) :          0.0014162714
        Rotational Energy (Hartree)    :          0.0014162714
        Vibrational Energy (Hartree)   :          0.0043255370
        Number of frequencies          :     51      
        Scaling Factor for frequencies :          1.0000000000
        Vibrational frequencies        :     
                  0          1          2          3          4          5    
      0       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
                  6          7          8          9         10         11    
      0     115.531994 118.471777 177.478114 240.507677 248.216749 388.928138
                 12         13         14         15         16         17    
      0     390.766385 717.040869 746.794265 844.644175 856.787090 910.255642
                 18         19         20         21         22         23    
      0     966.312787 1014.428420 1030.505889 1056.391723 1130.573197 1165.162705
                 24         25         26         27         28         29    
      0     1225.833376 1249.987338 1284.267946 1288.852721 1324.962947 1352.667991
                 30         31         32         33         34         35    
      0     1364.941780 1366.840947 1428.986939 1432.639334 1444.739247 1447.982949
                 36         37         38         39         40         41    
      0     1448.880894 1454.631459 1458.829538 2925.049988 2938.515420 2944.614076
                 42         43         44         45         46         47    
      0     2947.698847 2959.252865 2959.841960 2969.785294 2986.677444 3025.711898
                  48         49         50    
      0     3026.708661 3036.125911 3036.250990
        Zero Point Energy (Hartree)    :          0.1559407482
        Inner Energy (Hartree)         :       -197.3743056123
        Enthalpy (Hartree)             :       -197.3733614032
        Electronic entropy             :          0.0000000000
        Rotational entropy             :          0.0117418459
        Vibrational entropy            :          0.0074525941
        Translational entropy          :          0.0117418459
        Entropy                        :          0.0376033983
        Gibbs Energy (Hartree)          :       -197.4109648016
-------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
-------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    17        Geometry Index:    1
    Coordinates:
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            C     -0.087900000000    2.631300000000   -0.006700000000
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            H      0.814700000000    0.133800000000    0.666300000000
            H     -0.990500000000    0.133800000000    0.666300000000
            H      0.814700000000    1.382000000000   -1.519600000000
            H     -0.990500000000    1.382000000000   -1.519600000000
            H     -0.990500000000   -1.114400000000   -1.519600000000
            H      0.814700000000   -1.114400000000   -1.519600000000
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            H      0.817000000000    2.664000000000    0.647000000000
            H      0.817000000000   -2.396400000000    0.647000000000
            H     -0.992800000000   -2.396400000000    0.647000000000
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    17        Geometry Index:    2
    Coordinates:
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            C     -0.087900002406    1.412636685299   -0.850783419257
            C     -0.087900009579   -1.145036687688   -0.850783413094
            C     -0.087899999757    2.683212058363   -0.006214902583
            C     -0.087899996397   -2.415612063000   -0.006214899927
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            H      0.797271771685   -1.142455300168   -1.513663998977
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            H     -0.087899982105   -3.317199612674   -0.639175520032
            H     -0.978212446261    2.725635452496    0.642528828855
            H      0.802412429603    2.725635417184    0.642528855278
            H      0.802412442802   -2.458035425783    0.642528844072
            H     -0.978212435621   -2.458035457743    0.642528839656
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    17        Geometry Index:    3
    Coordinates:
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            C     -0.087899972095    1.416378816402   -0.851835758879
            C     -0.087900022873   -1.148778819356   -0.851835764755
            C     -0.087900013616    2.690377277573   -0.005640495883
            C     -0.087900003087   -2.422777277052   -0.005640496626
            H      0.795788464994    0.133799983407    0.649535080919
            H     -0.971588433136    0.133800010298    0.649535104503
            H      0.794770698899    1.413940480662   -1.515536003141
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            H     -0.970570691536   -1.146340460291   -1.515536006872
            H      0.794770612542   -1.146340475526   -1.515536058732
            H     -0.087900011302    3.592517995329   -0.634384978104
            H     -0.087900006162   -3.324917999450   -0.634384971026
            H     -0.976345935362    2.734828453447    0.643787125785
            H      0.800545879488    2.734828480707    0.643787169422
            H      0.800545919058   -2.467228444795    0.643787125567
            H     -0.976345893436   -2.467228472560    0.643787164965
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    17        Geometry Index:    4
    Coordinates:
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            C     -0.087899979809    1.416732467208   -0.852457713023
            C     -0.087900019377   -1.149132468156   -0.852457719028
            C     -0.087900021312    2.690691894693   -0.005425882407
            C     -0.087899985305   -2.423091894849   -0.005425883421
            H      0.795167487058    0.133799989473    0.649580616703
            H     -0.970967474271    0.133800018327    0.649580626782
            H      0.794340006080    1.414653818258   -1.516883753961
            H     -0.970139913455    1.414653802388   -1.516883829777
            H     -0.970140007922   -1.147053807105   -1.516883761768
            H      0.794339915270   -1.147053817259   -1.516883835776
            H     -0.087899949331    3.594028806773   -0.632610231625
            H     -0.087900046777   -3.326428810691   -0.632610227394
            H     -0.975985685744    2.735560476941    0.644675083646
            H      0.800185552481    2.735560416838    0.644675206228
            H      0.800185680208   -2.467960474708    0.644675085267
            H     -0.975985560855   -2.467960418452    0.644675204549
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    17        Geometry Index:    5
    Coordinates:
            C     -0.087900006237    0.133799991496   -0.017114528436
            C     -0.087899989051    1.416656586384   -0.852924506860
            C     -0.087900018330   -1.149056590716   -0.852924511982
            C     -0.087900026506    2.690004303104   -0.005339121878
            C     -0.087899966006   -2.422404295102   -0.005339121938
            H      0.794658534556    0.133799968262    0.649683943133
            H     -0.970458555241    0.133800008892    0.649683923190
            H      0.794024746092    1.415001216618   -1.517940356503
            H     -0.969824662778    1.415001195702   -1.517940444247
            H     -0.969824756965   -1.147401221016   -1.517940351383
            H      0.794024650959   -1.147401201743   -1.517940451922
            H     -0.087899877723    3.594436579729   -0.631142313656
            H     -0.087900083909   -3.326836564349   -0.631142312936
            H     -0.975703095272    2.735059701286    0.645329933261
            H      0.799902889533    2.735059536755    0.645330144700
            H      0.799903100462   -2.467459671901    0.645329934895
            H     -0.975702883584   -2.467459543399    0.645330142563
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    17        Geometry Index:    6
    Coordinates:
            C     -0.087900006237    0.133799991496   -0.017114528436
            C     -0.087899989051    1.416656586384   -0.852924506860
            C     -0.087900018330   -1.149056590716   -0.852924511982
            C     -0.087900026506    2.690004303104   -0.005339121878
            C     -0.087899966006   -2.422404295102   -0.005339121938
            H      0.794658534556    0.133799968262    0.649683943133
            H     -0.970458555241    0.133800008892    0.649683923190
            H      0.794024746092    1.415001216618   -1.517940356503
            H     -0.969824662778    1.415001195702   -1.517940444247
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            H      0.794024650959   -1.147401201743   -1.517940451922
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            H     -0.975702883584   -2.467459543399    0.645330142563
