File: basis

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$basis
*
c sto-3g
# c     (6s3p) / [2s1p]     {33/3}
*
   3  s
  71.616837350      .15432896730
  13.045096320      .53532814230
  3.5305121600      .44463454220
   3  s
  2.9412493550     -.99967229190E-01
  .68348309640      .39951282610
  .22228991590      .70011546890
   3  p
  2.9412493550      .15591627500
  .68348309640      .60768371860
  .22228991590      .39195739310
*
h sto-3g
# h     (3s) / [1s]     {3}
*
   3  s
  3.4252509140      .15432896730
  .62391372980      .53532814230
  .16885540400      .44463454220
*
$end