%chk=000070876.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070876

0 1
 S   -1.108700      -2.721200      0.4008000    
 S   0.3979000      -2.565300     -0.9884000    
 N  -0.9487000      0.1154000       1.436400    
 N    1.460300      0.1426000      -1.814600    
 C   -2.781900      0.9943000      0.1422000    
 C    2.905200      0.4729000      8.5600004E-02
 C   -1.933600     -6.1999999E-02  0.5354000    
 C    1.971600     -0.2901000     -0.6465000    
 C   -2.138600      -1.314300     -3.7099998E-02
 C    1.573100      -1.530100     -0.1345000    
 C   -3.799700      0.7734000     -0.8011000    
 C    3.418400     -9.4999997E-03   1.301600    
 C   -3.150600      -1.534100     -0.9749000    
 C    2.092300      -2.002000       1.081000    
 C   -2.575900       2.255200      0.7181000    
 C    3.297500       1.713200     -0.4360000    
 C   -3.982300     -0.4893000      -1.357600    
 C    3.011500      -1.245100       1.796800    
 C   -1.561900       2.441000       1.646700    
 C    2.772300       2.161800      -1.639200    
 C  -0.7833000       1.348000       1.968600    
 C    1.865000       1.345300      -2.283400    
 H   -4.456400       1.584700      -1.107600    
 H    4.138600      0.5749000       1.869700    
 H   -3.305600      -2.515100      -1.417800    
 H    1.800400      -2.970000       1.482700    
 H   -3.204500       3.099800      0.4456000    
 H    4.014500       2.336700      9.3300000E-02
 H   -4.770000     -0.6558000      -2.086000    
 H    3.412500      -1.615500       2.735400    
 H   -1.388000       3.409200       2.101200    
 H    3.064100       3.118200      -2.056800    
 H   2.5699999E-02   1.433000       2.686700    
 H    1.420500       1.643700      -3.227100    


%chk=000070876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070876

0 1
S -1.040481 -2.363080 -0.389553
S 0.417701 -1.100203 -1.670856
N -1.452766 0.173738 1.386498
N 2.759642 0.319562 -2.388520
C -3.791097 0.626598 0.691592
C 3.876939 0.563840 -0.177962
C -2.562469 -0.145578 0.622445
C 2.788790 0.112238 -1.018544
C -2.510466 -1.274983 -0.273228
C 1.675226 -0.580674 -0.435218
C -4.921092 0.246024 -0.101819
C 3.819784 0.307978 1.229381
C -3.634253 -1.613947 -1.040109
C 1.635625 -0.809013 0.941808
C -3.818999 1.755968 1.573320
C 4.954763 1.249922 -0.827333
C -4.845273 -0.861148 -0.947691
C 2.716543 -0.362776 1.765750
C -2.687635 2.072287 2.326382
C 4.916010 1.454073 -2.209577
C -1.527006 1.244605 2.200112
C 3.792958 0.969532 -2.954921
H -5.841898 0.838238 -0.037542
H 4.641774 0.642054 1.873198
H -3.571090 -2.466797 -1.723322
H 0.763752 -1.299927 1.383671
H -4.731577 2.359318 1.644336
H 5.801402 1.609340 -0.230472
H -5.706101 -1.154563 -1.557331
H 2.666581 -0.557521 2.842975
H -2.673708 2.929170 3.006619
H 5.725417 1.974796 -2.730468
H -0.626273 1.466780 2.785354
H 3.740977 1.118050 -4.039775


