TITLE
GAUSSIAN             13 MOL ORBITALS     69 PRIMITIVES        1 NUCLEI
  Al   1    (CENTRE  1)   0.00000000  0.00000000  0.00000000  CHARGE = 13.0
CENTRE ASSIGNMENTS    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
CENTRE ASSIGNMENTS    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
CENTRE ASSIGNMENTS    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
CENTRE ASSIGNMENTS    1  1  1  1  1  1  1  1  1
TYPE ASSIGNMENTS      1  1  1  1  1  1  1  1  1  1  1  1  1  1  2  2  2  2  2  3
TYPE ASSIGNMENTS      3  3  3  3  4  4  4  4  4  2  3  4  2  3  4  2  3  4  2  3
TYPE ASSIGNMENTS      4  5  5  6  6  7  7  8  8  9  9 10 10  5  6  7  8  9 10 11
TYPE ASSIGNMENTS     12 13 17 14 15 18 19 16 20
EXPONENTS  0.3779255D+05 0.5668068D+04 0.1289858D+04 0.3648660D+03 0.1185763D+03
EXPONENTS  0.4202487D+02 0.1549950D+02 0.7520803D+02 0.2303141D+02 0.3634880D+01
EXPONENTS  0.1606505D+01 0.7610339D+00 0.1655671D+00 0.6004158D-01 0.4525230D+03
EXPONENTS  0.1070820D+03 0.3413102D+02 0.1258704D+02 0.4981192D+01 0.4525230D+03
EXPONENTS  0.1070820D+03 0.3413102D+02 0.1258704D+02 0.4981192D+01 0.4525230D+03
EXPONENTS  0.1070820D+03 0.3413102D+02 0.1258704D+02 0.4981192D+01 0.2007035D+01
EXPONENTS  0.2007035D+01 0.2007035D+01 0.8008371D+00 0.8008371D+00 0.8008371D+00
EXPONENTS  0.2017893D+00 0.2017893D+00 0.2017893D+00 0.5789555D-01 0.5789555D-01
EXPONENTS  0.5789555D-01 0.1570000D+01 0.3330000D+00 0.1570000D+01 0.3330000D+00
EXPONENTS  0.1570000D+01 0.3330000D+00 0.1570000D+01 0.3330000D+00 0.1570000D+01
EXPONENTS  0.3330000D+00 0.1570000D+01 0.3330000D+00 0.1110000D+00 0.1110000D+00
EXPONENTS  0.1110000D+00 0.1110000D+00 0.1110000D+00 0.1110000D+00 0.2440000D+00
EXPONENTS  0.2440000D+00 0.2440000D+00 0.2440000D+00 0.2440000D+00 0.2440000D+00
EXPONENTS  0.2440000D+00 0.2440000D+00 0.2440000D+00 0.2440000D+00
MO    1     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =  -56.176624
  0.10823621D+01  0.20161575D+01  0.34094785D+01  0.51438414D+01  0.63443280D+01
  0.53099851D+01  0.18195851D+01 -0.30863714D-01 -0.58018868D-01  0.56596946D-01
 -0.62485437D-02 -0.13715845D-02  0.43568980D-03 -0.95303825D-04  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.83501442D-06  0.27676871D-06  0.83501442D-06  0.27676871D-06
 -0.16700288D-05 -0.55353743D-06  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.60125356D-08  0.60125355D-08
 -0.12025071D-07  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
MO    2     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -4.201758
 -0.29286474D+00 -0.54553041D+00 -0.92253419D+00 -0.13918168D+01 -0.17166436D+01
 -0.14367718D+01 -0.49234200D+00 -0.39181359D+00 -0.73654715D+00  0.71849592D+00
  0.54113994D+00  0.11878274D+00  0.34125247D-02 -0.53973744D-03  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.19481816D-03  0.64573221D-04  0.19481816D-03  0.64573221D-04
 -0.38963631D-03 -0.12914644D-03  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.69519603D-05 -0.69519603D-05
  0.13903921D-04  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
MO    3     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -2.731440
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.47216836D+01
  0.62611815D+01  0.70431147D+01  0.62434038D+01  0.37972673D+01  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.13615407D+01
  0.00000000D+00  0.00000000D+00  0.22173462D+00  0.00000000D+00  0.00000000D+00
  0.28162229D-02  0.00000000D+00  0.00000000D+00 -0.96447670D-04  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.23158606D-05
  0.00000000D+00  0.00000000D+00 -0.23158607D-05  0.00000000D+00  0.00000000D+00
  0.92634425D-05  0.00000000D+00  0.00000000D+00  0.00000000D+00
MO    4     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -2.731440
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.47216836D+01
  0.62611815D+01  0.70431147D+01  0.62434038D+01  0.37972673D+01  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.13615407D+01  0.00000000D+00  0.00000000D+00  0.22173462D+00  0.00000000D+00
  0.00000000D+00  0.28162229D-02  0.00000000D+00  0.00000000D+00 -0.96447670D-04
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
 -0.23158606D-05  0.00000000D+00  0.00000000D+00 -0.23158607D-05  0.00000000D+00
  0.00000000D+00  0.92634425D-05  0.00000000D+00  0.00000000D+00
MO    5     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -2.729287
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.47329210D+01
  0.62760828D+01  0.70598769D+01  0.62582628D+01  0.38063046D+01  0.00000000D+00
  0.00000000D+00  0.13618911D+01  0.00000000D+00  0.00000000D+00  0.21969365D+00
  0.00000000D+00  0.00000000D+00  0.28683774D-02  0.00000000D+00  0.00000000D+00
 -0.98993784D-04  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00 -0.33527726D-06  0.00000000D+00  0.00000000D+00  0.50291588D-06
  0.00000000D+00  0.00000000D+00  0.50291588D-06  0.00000000D+00
MO    6     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -0.328871
  0.70623272D-01  0.13155269D+00  0.22246578D+00  0.33563159D+00  0.41396239D+00
  0.34647233D+00  0.11872649D+00  0.11303830D+00  0.21249399D+00 -0.20728621D+00
 -0.27488507D+00 -0.60338555D-01  0.13196171D+00  0.37210162D-01  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00 -0.28311399D-02 -0.93839213D-03 -0.28311399D-02 -0.93839213D-03
  0.56622799D-02  0.18767843D-02  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.48382689D-03 -0.48382689D-03
  0.96765378D-03  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
MO    7     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -0.142556
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.96030525D+00
 -0.12734113D+01 -0.14324424D+01 -0.12697957D+01 -0.77229565D+00  0.00000000D+00
  0.00000000D+00 -0.31259737D+00  0.00000000D+00  0.00000000D+00  0.93863687D-03
  0.00000000D+00  0.00000000D+00  0.96550358D-01  0.00000000D+00  0.00000000D+00
  0.24610580D-01  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.20294007D-03  0.00000000D+00  0.00000000D+00 -0.30441010D-03
  0.00000000D+00  0.00000000D+00 -0.30441010D-03  0.00000000D+00
MO   38     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =  -56.174458
  0.10823664D+01  0.20161655D+01  0.34094920D+01  0.51438617D+01  0.63443530D+01
  0.53100060D+01  0.18195923D+01 -0.30815798D-01 -0.57928792D-01  0.56509078D-01
 -0.62346638D-02 -0.13685378D-02  0.43547764D-03 -0.95134788D-04  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.45247223D-06  0.14997365D-06  0.45247223D-06  0.14997365D-06
 -0.90494446D-06 -0.29994729D-06  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.97317813D-08 -0.97317812D-08
  0.19463563D-07  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
MO   39     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -4.199318
 -0.29288600D+00 -0.54557002D+00 -0.92260117D+00 -0.13919179D+01 -0.17167682D+01
 -0.14368762D+01 -0.49237774D+00 -0.39137958D+00 -0.73573128D+00  0.71770004D+00
  0.54152817D+00  0.11886796D+00  0.33542018D-02 -0.54298762D-03  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.40949952D-03  0.13573018D-03  0.40949952D-03  0.13573018D-03
 -0.81899904D-03 -0.27146036D-03  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.81455226D-05 -0.81455226D-05
  0.16291045D-04  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
MO   40     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -2.730305
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.47202504D+01
  0.62592810D+01  0.70409768D+01  0.62415087D+01  0.37961147D+01  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.13610090D+01
  0.00000000D+00  0.00000000D+00  0.22223012D+00  0.00000000D+00  0.00000000D+00
  0.27955159D-02  0.00000000D+00  0.00000000D+00 -0.96276305D-04  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.16924777D-04
  0.00000000D+00  0.00000000D+00  0.16924777D-04  0.00000000D+00  0.00000000D+00
 -0.67699109D-04  0.00000000D+00  0.00000000D+00  0.00000000D+00
MO   41     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -2.730305
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.47202504D+01
  0.62592810D+01  0.70409768D+01  0.62415087D+01  0.37961147D+01  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.13610090D+01  0.00000000D+00  0.00000000D+00  0.22223012D+00  0.00000000D+00
  0.00000000D+00  0.27955159D-02  0.00000000D+00  0.00000000D+00 -0.96276305D-04
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.16924777D-04  0.00000000D+00  0.00000000D+00  0.16924777D-04  0.00000000D+00
  0.00000000D+00 -0.67699109D-04  0.00000000D+00  0.00000000D+00
MO   42     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -2.720316
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00 -0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.47253954D+01
  0.62661035D+01  0.70486514D+01  0.62483118D+01  0.38002524D+01  0.00000000D+00
  0.00000000D+00  0.13634959D+01  0.00000000D+00  0.00000000D+00  0.22068885D+00
  0.00000000D+00  0.00000000D+00  0.26401740D-02  0.00000000D+00  0.00000000D+00
 -0.90485540D-04  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00 -0.33220078D-04  0.00000000D+00  0.00000000D+00  0.49830117D-04
  0.00000000D+00  0.00000000D+00  0.49830117D-04  0.00000000D+00
MO   43     MO 0.0        OCC NO =    1.0000000  ORB. ENERGY =   -0.299139
  0.70969143D-01  0.13219695D+00  0.22355529D+00  0.33727531D+00  0.41598973D+00
  0.34816915D+00  0.11930794D+00  0.11609346D+00  0.21823721D+00 -0.21288867D+00
 -0.27563832D+00 -0.60503897D-01  0.13499557D+00  0.35765977D-01  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.84650289D-02  0.28057661D-02  0.84650289D-02  0.28057661D-02
 -0.16930058D-01 -0.56115323D-02  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.57366273D-03  0.57366273D-03
 -0.11473255D-02  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
  0.00000000D+00  0.00000000D+00  0.00000000D+00  0.00000000D+00
END DATA
 TOTAL ENERGY =     -242.248920154665 THE VIRIAL(-V/T)=   2.00179783
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