%chk=000128559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128559

0 1
 S    2.877500     -0.3511000      -1.854600    
 O   -2.217000       3.004200     -0.5167000    
 O  -0.5178000       2.369500      0.8532000    
 N   -5.602100     -0.6094000     -0.1438000    
 N  -4.5899998E-02 -0.3403000      0.5081000    
 N    2.540800     -0.2507000      0.7006000    
 N   0.5601000     -0.3691000     -0.6056000    
 C   -4.203300     -0.5356000      2.0300001E-02
 C   -3.568300      0.7062000      4.7400001E-02
 C   -2.184700      0.7786000      0.2095000    
 C   -3.454600      -1.704800      0.1553000    
 C   -1.440800     -0.3910000      0.3440000    
 C   -2.071100      -1.632300      0.3175000    
 C   -6.352800      -1.703600      0.4392000    
 C   -6.309100      0.4156000     -0.8856000    
 C    4.290500     -0.2650000     -0.8704000    
 C    3.909100     -0.2183000      0.4740000    
 C   -1.547500       2.088700      0.2341000    
 C    1.906800     -0.3199000     -0.4466000    
 C    5.639400     -0.2404000      -1.259800    
 C    4.915400     -0.1445000       1.461600    
 C    6.615300     -0.1671000     -0.2626000    
 C    6.260200     -0.1197000       1.081000    
 H   -4.153500       1.618800     -2.8899999E-02
 H   -3.916100      -2.687800      0.1266000    
 H   -1.495900      -2.548800      0.4200000    
 H   -6.009200      -1.929700       1.455000    
 H   -6.267800      -2.604600     -0.1775000    
 H   -7.417700      -1.456300      0.5150000    
 H   -5.762100      0.7080000      -1.789200    
 H   -6.474800       1.301200     -0.2631000    
 H   -7.290700      5.7200000E-02  -1.215600    
 H    5.924100     -0.2770000      -2.306900    
 H    4.649100     -0.1069000       2.514100    
 H    7.665300     -0.1470000     -0.5425000    
 H    7.033100     -6.2799998E-02   1.842700    
 H   -1.781600       3.883000     -0.4950000    


%chk=000128559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128559

0 1
S 2.783042 1.840141 0.041159
O -0.798330 0.914965 -2.364718
O -1.568031 2.688193 -1.068751
N -5.786613 -0.444834 0.161095
N -0.146024 -0.815082 0.378733
N 2.718382 -0.865215 0.264943
N 0.530125 0.286412 0.101545
C -4.401110 -0.539272 0.157863
C -3.596442 0.463808 -0.483154
C -2.198415 0.391970 -0.487286
C -3.726229 -1.644812 0.778240
C -1.532428 -0.683144 0.195782
C -2.331181 -1.703455 0.788362
C -6.597343 -1.505520 0.781330
C -6.457438 0.712640 -0.455340
C 4.330126 0.920074 0.153308
C 4.066748 -0.494090 0.262304
C -1.467813 1.454781 -1.258196
C 1.916285 0.185033 0.169141
C 5.647660 1.420085 0.143489
C 5.153106 -1.402407 0.356470
C 6.712892 0.497809 0.239513
C 6.466361 -0.900499 0.344989
H -4.069756 1.299395 -1.005034
H -4.295439 -2.443641 1.259176
H -1.805328 -2.525753 1.283664
H -6.378923 -1.605239 1.862915
H -6.419408 -2.487234 0.300317
H -7.664632 -1.261421 0.670788
H -6.276353 0.758007 -1.547526
H -6.113549 1.664457 -0.007325
H -7.543133 0.633999 -0.293241
H 5.847726 2.492866 0.063164
H 4.942645 -2.472745 0.437902
H 7.744127 0.867150 0.232505
H 7.312269 -1.592164 0.418702
H -0.295276 1.642040 -2.822026


