%chk=000076470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076470

0 1
 S  -0.4172000      0.7362000     -0.6430000    
 S   0.4095000     -0.9249000      0.2578000    
 S   -1.995100     -0.6074000      -2.779400    
 S    1.867700      -2.064400      -2.073600    
 N   -3.058300      0.1737000     -0.3559000    
 N    3.046500     -0.4443000     -0.1766000    
 C   -2.994300      0.7628000      0.9851000    
 C   -4.383300     -0.3468000     -0.7023000    
 C    4.125100      8.0600001E-02  -1.019800    
 C    3.262100     -0.2190000       1.254800    
 C   -3.969600       1.933100       1.155200    
 C   -4.871200      -1.407300      0.2910000    
 C    4.315000       1.592000     -0.8501000    
 C    4.575600     -0.8343000       1.750600    
 C   -3.645500       3.036100      0.1471000    
 C   -3.931400       2.497800       2.577100    
 C   -3.900000      -2.588100      0.3162000    
 C   -6.279600      -1.897200     -5.2700002E-02
 C    5.481700       2.112600      -1.692600    
 C    3.029200       2.327700      -1.228900    
 C    4.812700     -0.5396000       3.233400    
 C    4.569100      -2.344900       1.513600    
 C   -1.961100      8.6499996E-02  -1.236800    
 C    1.912500      -1.120800     -0.6701000    
 H   -1.998200       1.126100       1.239200    
 H   -3.185100     -1.7500000E-02   1.728200    
 H   -4.399600     -0.7818000      -1.704200    
 H   -5.088400      0.4887000     -0.7591000    
 H    3.893000     -0.1164000      -2.071900    
 H    5.050000     -0.4690000     -0.8215000    
 H    2.455300     -0.6671000       1.841900    
 H    3.215900      0.8538000       1.465100    
 H   -5.001300       1.605800      0.9898000    
 H   -4.940500     -0.9931000       1.302000    
 H    4.561400       1.838600      0.1880000    
 H    5.431400     -0.4039000       1.220300    
 H   -2.618300       3.397400      0.2675000    
 H   -4.316600       3.891300      0.2842000    
 H   -3.768000       2.694300     -0.8853000    
 H   -2.936200       2.881900       2.825400    
 H   -4.187300       1.722500       3.307000    
 H   -4.649300       3.316800       2.691600    
 H   -3.793900      -3.038800     -0.6765000    
 H   -4.260600      -3.367200      0.9970000    
 H   -2.905900      -2.293200      0.6651000    
 H   -6.307800      -2.360600      -1.044800    
 H   -6.989900      -1.063700     -4.7800001E-02
 H   -6.625200      -2.636900      0.6772000    
 H    5.624700       3.187700      -1.541400    
 H    6.413200       1.608200      -1.415000    
 H    5.307700       1.940000      -2.760200    
 H    2.237100       2.135800     -0.5020000    
 H    3.191800       3.411300      -1.238100    
 H    2.673000       2.035300      -2.222400    
 H    5.764800     -0.9639000       3.569000    
 H    4.845100      0.5404000       3.411600    
 H    4.015500     -0.9618000       3.854700    
 H    4.524100      -2.591000      0.4485000    
 H    5.483600      -2.800400       1.909500    
 H    3.717500      -2.823000       2.010200    


%chk=000076470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076470

0 1
S -0.072348 1.907587 1.896456
S 0.314428 -0.432583 2.538426
S -0.992606 3.231312 -0.547018
S 0.989769 -2.893745 1.114995
N -2.370400 1.081160 0.507765
N 2.407238 -0.565858 0.662053
C -2.880652 0.339304 1.696530
C -3.178448 0.971002 -0.741262
C 3.068229 -1.188339 -0.521559
C 3.026365 0.683777 1.188703
C -4.339094 0.717919 2.075160
C -3.395434 -0.491695 -1.209069
C 3.212102 -0.227964 -1.730712
C 4.524413 0.512060 1.564313
C -4.473852 2.229725 2.366206
C -4.759504 -0.131151 3.298719
C -2.052613 -1.218438 -1.448832
C -4.260966 -0.470425 -2.491720
C 3.929719 -0.988097 -2.871829
C 1.842910 0.319031 -2.193104
C 5.052973 1.869721 2.085743
C 4.719085 -0.608102 2.611246
C -1.315677 1.943249 0.554174
C 1.394929 -1.225726 1.291730
H -2.226698 0.579285 2.549823
H -2.796029 -0.748059 1.517716
H -2.641140 1.534327 -1.524594
H -4.152617 1.476671 -0.592240
H 2.454493 -2.059501 -0.812117
H 4.060607 -1.579598 -0.222299
H 2.472480 0.979630 2.093444
H 2.901868 1.497094 0.450731
H -5.013241 0.453906 1.234446
H -3.961699 -1.042523 -0.429965
H 3.855146 0.628379 -1.440275
H 5.100769 0.253873 0.652120
H -3.823246 2.521806 3.212278
H -5.515175 2.484876 2.634758
H -4.183582 2.846192 1.496172
H -4.125886 0.100713 4.175772
H -4.673035 -1.214611 3.093742
H -5.807889 0.080363 3.576145
H -1.460554 -0.689879 -2.220805
H -2.227438 -2.250968 -1.801990
H -1.437494 -1.278486 -0.532833
H -3.737004 0.056410 -3.311789
H -5.230177 0.036260 -2.324657
H -4.470840 -1.499689 -2.834179
H 4.094016 -0.321943 -3.737778
H 4.914495 -1.376740 -2.550240
H 3.320962 -1.845218 -3.217384
H 1.335874 0.899527 -1.401906
H 1.965298 0.981545 -3.069200
H 1.173160 -0.512412 -2.485997
H 6.129095 1.801258 2.326942
H 4.922454 2.674042 1.337777
H 4.519663 2.171830 3.006883
H 4.343619 -1.582709 2.249713
H 5.788555 -0.725523 2.864208
H 4.173722 -0.367153 3.543364


