%chk=000146576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146576

0 1
 S   -3.667800       1.229800      0.1334000    
 O   -5.222700       1.346800     -0.3461000    
 O   -2.895900       2.146000     -0.6856000    
 O   -3.651500       1.347700       1.580100    
 N   -1.246300      -1.914800     -9.4800003E-02
 N  -0.8883000      0.2762000     -0.1817000    
 N   -3.228800     -0.4002000     -0.2844000    
 N    1.783800       1.446900     -8.5299999E-02
 N    3.967200     -0.2966000      0.1268000    
 C   0.1141000      -1.762000     -2.3399999E-02
 C   0.3146000     -0.3872000     -7.9000004E-02
 C   -1.801100     -0.6691000     -0.1881000    
 C    1.632500      0.1057000     -2.7600000E-02
 C    1.157300      -2.678500      8.1600003E-02
 C    2.714900     -0.7845000      7.8500003E-02
 C    2.456400      -2.153800      0.1309000    
 C   -1.966100      -3.167600     -7.5700000E-02
 C    3.048800       1.899400     -3.4299999E-02
 C    4.119900       1.043600      6.9700003E-02
 C    3.259000       3.372000     -9.4999999E-02
 H   0.9888000      -3.748300      0.1269000    
 H    3.289400      -2.850600      0.2137000    
 H   -2.792200      -3.115000     -0.7895000    
 H   -1.302600      -3.985100     -0.3650000    
 H   -2.344000      -3.326000      0.9374000    
 H   -3.840400      -1.155800      4.8500001E-02
 H    5.143300       1.397800      0.1113000    
 H    3.764300       3.722600      0.8105000    
 H    3.865700       3.634800     -0.9673000    
 H    2.304200       3.902100     -0.1756000    
 H   -5.837200      0.6866000      5.2099999E-02


%chk=000146576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146576

0 1
S -4.242812 0.332433 -0.814007
O -5.311010 -1.190883 -0.490897
O -3.101866 -0.153096 -1.876205
O -5.297732 1.481143 -1.301855
N -1.389001 -1.445741 0.373104
N -0.665633 0.713496 0.865942
N -3.019433 0.080974 1.254674
N 2.224673 1.582576 0.540550
N 3.978306 -0.418050 -0.545699
C -0.053625 -1.391054 0.068722
C 0.379652 -0.039226 0.413205
C -1.760446 -0.153242 0.859680
C 1.766774 0.325274 0.220815
C 0.820939 -2.374526 -0.474763
C 2.638775 -0.688855 -0.327175
C 2.150312 -2.010185 -0.663058
C -2.315371 -2.566269 0.164866
C 3.541586 1.837772 0.315084
C 4.405192 0.822636 -0.225851
C 4.063949 3.213611 0.645625
H 0.462757 -3.372864 -0.740766
H 2.881711 -2.711656 -1.076186
H -3.262419 -2.332805 0.673569
H -2.526691 -2.683521 -0.911503
H -1.884666 -3.494315 0.577427
H -3.118231 1.050071 1.620692
H 5.466206 1.036043 -0.398017
H 4.918906 3.162460 1.344940
H 4.418100 3.733644 -0.264323
H 3.261742 3.812386 1.102407
H -6.191346 -0.995333 -0.927999


