%chk=000066118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066118

0 1
 S    7.975000       1.698800      0.1152000    
 N    5.558900      0.4607000     -0.4225000    
 C   -1.077700     -0.7697000     -0.1304000    
 C   -2.267500      0.1431000      0.1853000    
 C   0.2735000     -0.1539000      0.2407000    
 C   -3.656100     -0.4490000     -8.0899999E-02
 C    1.463500      -1.061500     -8.6999997E-02
 C   -4.799000      0.5308000      0.1968000    
 C    2.817200     -0.4368000      0.2608000    
 C   -6.180400     -3.1900000E-02 -0.1531000    
 C    3.970300      -1.373900     -0.1139000    
 C   -7.322500      0.9534000      9.7499996E-02
 C    5.332000     -0.8073000      0.2722000    
 C   -8.674600      0.3201000     -0.1940000    
 C    6.587500      0.9772000     -0.1867000    
 H   -1.087300      -1.011900      -1.200000    
 H   -1.200800      -1.716300      0.4099000    
 H   -2.214600      0.4375000       1.241300    
 H   -2.160000       1.066800     -0.3976000    
 H   0.3914000      0.7986000     -0.2904000    
 H   0.2831000      7.7900000E-02   1.312900    
 H   -3.706300     -0.7724000      -1.127900    
 H   -3.789400      -1.347100      0.5344000    
 H    1.442600      -1.303800      -1.156900    
 H    1.351200      -2.008900      0.4546000    
 H   -4.633500       1.448900     -0.3804000    
 H   -4.780800      0.8152000       1.256000    
 H    2.852800     -0.2180000       1.334700    
 H    2.918100      0.5178000     -0.2686000    
 H   -6.189900     -0.3328000      -1.208200    
 H   -6.350500     -0.9419000      0.4359000    
 H    3.835300      -2.341100      0.3850000    
 H    3.946800      -1.562300      -1.194400    
 H   -7.191900       1.840700     -0.5326000    
 H   -7.300600       1.289200       1.140700    
 H    5.371100     -0.6670000       1.360900    
 H    6.105500      -1.538300      1.2000001E-03
 H   -8.847200     -0.5501000      0.4473000    
 H   -9.477600       1.041000     -1.1300000E-02
 H   -8.739200     -3.4000000E-03  -1.237800    


%chk=000066118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066118

0 1
S 6.552934 2.646866 -1.403506
N 5.801157 0.223478 -0.124093
C -1.040033 -0.745146 -0.101107
C -2.218234 0.174768 0.290708
C 0.333997 -0.211807 0.363082
C -3.591759 -0.358090 -0.175786
C 1.509828 -1.135882 -0.026162
C -4.771387 0.560153 0.216222
C 2.883780 -0.596265 0.431063
C -6.144752 0.026553 -0.250125
C 4.049601 -1.530897 0.044160
C -7.324725 0.945458 0.141038
C 5.439677 -1.015057 0.496283
C -8.692790 0.403269 -0.326786
C 6.121729 1.248724 -0.668381
H -1.028680 -0.875322 -1.203625
H -1.206005 -1.755268 0.329034
H -2.231133 0.304535 1.393326
H -2.052467 1.185112 -0.138465
H 0.501498 0.796015 -0.070623
H 0.321691 -0.077630 1.465068
H -3.579148 -0.486803 -1.278522
H -3.757210 -1.369119 0.252388
H 1.518462 -1.271960 -1.127795
H 1.343838 -2.143083 0.410831
H -4.606659 1.571021 -0.212451
H -4.784290 0.689501 1.318959
H 2.875650 -0.453878 1.532035
H 3.050674 0.404904 -0.013953
H -6.133342 -0.103189 -1.352813
H -6.311464 -0.983909 0.178997
H 3.904653 -2.526263 0.510321
H 4.062388 -1.686573 -1.052031
H -7.158332 1.954155 -0.289406
H -7.334419 1.076103 1.242584
H 5.442557 -0.875049 1.596515
H 6.215761 -1.770367 0.259851
H -8.896543 -0.590795 0.114607
H -9.518687 1.078130 -0.035331
H -8.719416 0.292009 -1.427410


