%chk=000227339.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227339

0 1
 S  -0.3667000      -2.428300       1.728600    
 N  -6.1099999E-02 -0.2455000     -0.4304000    
 N   -1.359400       3.132600      0.4888000    
 C  -0.2568000       1.207300     -0.5446000    
 C   -1.176300       1.688900      0.5702000    
 C    1.167200     -0.6967000      0.1224000    
 C   -1.258000      -1.001200     -0.4942000    
 C    2.442900     -0.2299000     -0.3538000    
 C    1.141900      -1.666100       1.150600    
 C   -1.493500      -2.061000      0.3986000    
 C   -2.242700       3.601800       1.558100    
 C   -1.900000       3.511400     -0.8181000    
 C    3.625600     -0.6473000      0.3137000    
 C   -2.237200     -0.7293000      -1.470700    
 C    2.323700      -2.064300       1.781900    
 C   -2.673900      -2.815200      0.3103000    
 C    3.546900      -1.542000       1.382800    
 C    2.626600      0.5957000      -1.492700    
 C   -3.624700      -2.530000     -0.6666000    
 C   -3.407300      -1.485800      -1.556600    
 C   -1.700900       3.219500       2.925100    
 C   -2.033600       5.019800     -0.9408000    
 C    4.887100     -0.1887000     -0.1033000    
 C    3.886800       1.038200      -1.904200    
 C    5.017300      0.6556000      -1.200900    
 C   -4.873800      -3.339600     -0.7541000    
 H   0.6769000       1.769600     -0.4366000    
 H  -0.6149000       1.414800      -1.554500    
 H   -2.152100       1.190100      0.5484000    
 H  -0.6934000       1.407600       1.513000    
 H   -3.263900       3.216000       1.445900    
 H   -2.300000       4.695000       1.558400    
 H   -2.865200       3.030900      -1.021500    
 H   -1.217000       3.246100      -1.628200    
 H   -2.097600      5.8300000E-02  -2.206200    
 H    2.309500      -2.788700       2.593700    
 H   -2.857700      -3.628100       1.010700    
 H    4.445900      -1.872200       1.899900    
 H    1.783700      0.8873000      -2.114900    
 H   -4.135000      -1.251800      -2.329100    
 H   -1.843000       2.157800       3.150300    
 H  -0.6390000       3.468300       3.026900    
 H   -2.240400       3.775300       3.700500    
 H   -2.880700       5.412600     -0.3701000    
 H   -1.120500       5.536100     -0.6248000    
 H   -2.213900       5.289000      -1.988000    
 H    5.789600     -0.5003000      0.4196000    
 H    3.978700       1.673100      -2.780600    
 H    5.999300      0.9952000      -1.515400    
 H   -5.224100      -3.628300      0.2428000    
 H   -5.683900      -2.773900      -1.226700    
 H   -4.693800      -4.245700      -1.341100    


%chk=000227339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227339

0 1
S -0.786017 -2.204312 1.896141
N -0.162172 -0.160423 -0.302631
N -1.634051 3.239588 0.603262
C -0.369452 1.312503 -0.342613
C -1.324162 1.799887 0.779656
C 1.000655 -0.713323 0.319160
C -1.275383 -1.011136 -0.599757
C 2.327711 -0.341821 -0.134331
C 0.883669 -1.674920 1.338259
C -1.651582 -2.061828 0.278781
C -1.654709 4.013987 1.871667
C -2.827659 3.466894 -0.254857
C 3.484601 -0.841476 0.584800
C -2.030392 -0.840943 -1.787636
C 2.025007 -2.218310 1.996604
C -2.720112 -2.926797 -0.026255
C 3.302926 -1.775495 1.656570
C 2.547872 0.479922 -1.290321
C -3.487629 -2.743533 -1.205879
C -3.129255 -1.679699 -2.072087
C -0.245233 4.254666 2.444919
C -2.798667 4.822092 -0.987586
C 4.795381 -0.429179 0.173655
C 3.838780 0.845170 -1.680192
C 4.974552 0.407939 -0.928945
C -4.638846 -3.677991 -1.535270
H 0.600128 1.818598 -0.219260
H -0.771257 1.620125 -1.326812
H -2.245156 1.172008 0.783452
H -0.828580 1.637894 1.753498
H -2.297610 3.519130 2.642944
H -2.119021 4.994544 1.659873
H -3.775530 3.374573 0.334042
H -2.856255 2.657804 -1.009605
H -1.749915 -0.049897 -2.491076
H 1.880529 -2.964927 2.784438
H -2.971453 -3.737537 0.667690
H 4.181270 -2.159428 2.187323
H 1.689223 0.788717 -1.893305
H -3.705122 -1.516375 -2.990840
H 0.269012 3.305582 2.682289
H 0.373688 4.802136 1.712834
H -0.301580 4.846657 3.377667
H -2.793814 5.672415 -0.281914
H -1.891839 4.896455 -1.612942
H -3.688936 4.930967 -1.635167
H 5.661419 -0.800164 0.734966
H 3.985255 1.460468 -2.574765
H 5.981112 0.712317 -1.235746
H -5.230481 -3.926801 -0.635842
H -5.322463 -3.230071 -2.277544
H -4.270856 -4.632653 -1.958811


