$CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE COORD=ZMTMPC
 MAXIT=200 NZVAR=0 ICHARG=1 ECP=READ $END
 $SYSTEM TIMLIM=600 MEMORY=10000000 $END
 $STATPT NSTEP=300 OPTTOL=0.0001 $END
 $BASIS EXTFIL=.T. GBASIS=631dLAN $END
 $SCF DIRSCF=.T. DAMP=.T. $END
 $GUESS GUESS=HUCKEL $END
 $ECP
PD-ECP GEN 28    3
 5      ----- f potential     -----
     -0.05631770  0      598.33364440
    -20.12880360  1      162.42982900
   -105.81979230  2       51.57147710
    -42.57333450  2       16.48882600
     -3.61650860  2        5.82876560
 5      ----- s-f potential   -----
      3.00036510  0       73.38063040
     32.43500930  1       14.75504380
    459.08303830  2       17.83502040
   -868.06290290  2       12.71114770
    514.47260980  2        9.32920630
 5      ----- p-f potential   -----
      4.95930990  0       55.66898770
     21.17110290  1       64.23377710
    605.05600920  2       17.62549520
   -726.96418460  2       11.90581550
    396.32748830  2        8.51008320
 5      ----- d-f potential   -----
      3.05087450  0       49.99947280
     22.25065800  1       39.74775470
    674.83576980  2       11.43213660
  -1040.85540480  2        9.17900800
    505.93751470  2        7.56244290
P-ECP NONE
P-ECP NONE
C-ECP NONE
H-ECP NONE
C-ECP NONE
C-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
 $END
 $DATA
pi-allyl Pd complex
C1
Pd 0          0 0          0 0          0      0      0      0
P  2.517922   1 0          0 0          0      1      0      0
P  2.517979   1 100.38611  1 0          0      1      2      0
C  2.2677     1 128.74077  1 195.62585  1      1      2      3
H  1.073711   1 115.51958  1 80.07511   1      4      1      2
C  1.397197   1 70.57866   1 194.62366  1      4      1      2
C  1.397195   1 70.57281   1 325.52603  1      4      1      2
H  1.077373   1 119.8194   1 271.06354  1      7      4      1
H  1.072101   1 119.8269   1 114.72056  1      7      4      1
H  1.072047   1 119.83121  1 245.27745  1      6      4      1
H  1.077357   1 119.81891  1 88.92715   1      6      4      1
H  1.407339   1 116.14223  1 96.15717   1      3      1      2
H  1.405968   1 117.50073  1 215.52313  1      3      1      2
H  1.406922   1 118.02164  1 336.48569  1      3      1      2
H  1.405966   1 117.48219  1 144.28909  1      2      1      3
H  1.407331   1 116.14301  1 263.63702  1      2      1      3
H  1.406903   1 118.04182  1 23.32659   1      2      1      3
 $END