%chk=000005440.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005440

0 1
 S   -2.484100     -0.1625000      -2.202200    
 S  -1.2900000E-02   4.876300      0.7776000    
 N    2.427600      -1.621700      0.6693000    
 N    4.826100      -1.687200     -0.9437000    
 N   -1.651000     -9.2600003E-02  0.7919000    
 C    2.782500      -2.807100     -0.1207000    
 C    2.952100     -0.4070000      3.3599999E-02
 C   0.9799000      -1.530900      0.8471000    
 C    4.300500      -2.902400     -0.3097000    
 C    4.470200     -0.5019000     -0.1542000    
 C   0.5886000     -0.3823000       1.782200    
 C  -0.9114000     -0.2624000       2.049300    
 C    6.274200      -1.778200      -1.119500    
 C   -1.439300       1.107200      6.6799998E-02
 C   -2.571200      -1.110000      0.4333000    
 C   -1.798200       1.207200      -1.292000    
 C   -3.042500      -1.229600     -0.8890000    
 C  -0.8972000       2.261600      0.6729000    
 C   -3.084200      -2.022300       1.381300    
 C   -1.593100       2.402000      -2.004600    
 C  -0.7003000       3.448200     -3.8699999E-02
 C   -3.961600      -2.235300      -1.237500    
 C   -1.045700       3.517500      -1.379700    
 C   -4.001400      -3.016800       1.030600    
 C   -4.438300      -3.125300     -0.2809000    
 C    1.603900       4.250900       1.315200    
 C    2.426300       3.804600      0.1213000    
 H    2.289200      -2.786200      -1.102000    
 H    2.443300      -3.713200      0.3959000    
 H    2.791800      0.4777000      0.6558000    
 H    2.467400     -0.2255000     -0.9352000    
 H   0.4857000      -1.418900     -0.1257000    
 H   0.6090000      -2.464800       1.288500    
 H    4.515100      -3.772700     -0.9418000    
 H    4.782700      -3.077400      0.6618000    
 H    4.963700     -0.5225000      0.8272000    
 H    4.811100      0.4033000     -0.6717000    
 H    1.091900     -0.5264000       2.747900    
 H   0.9523000      0.5732000       1.402500    
 H   -1.153600      -1.169600       2.604200    
 H   -1.131900      0.5450000       2.757200    
 H    6.655400     -0.8890000      -1.633700    
 H    6.802900      -1.877300     -0.1645000    
 H    6.531800      -2.638600      -1.747000    
 H  -0.6455000       2.266100       1.729800    
 H   -2.850600      -1.968900       2.439400    
 H   -1.859200       2.476000      -3.057200    
 H   -4.317600      -2.335000      -2.261000    
 H  -0.9004000       4.428300      -1.954600    
 H   -4.382600      -3.694900       1.788700    
 H   -5.151700      -3.895100     -0.5584000    
 H    1.478700       3.429800       2.027500    
 H    2.121800       5.061700       1.837100    
 H    2.000000       2.929500     -0.3785000    
 H    2.544000       4.607300     -0.6148000    
 H    3.430000       3.519500      0.4557000    


%chk=000005440-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005440

0 1
S -2.301477 -0.507956 -2.238631
S -0.137122 4.754159 0.889220
N 2.616024 -1.573473 0.542174
N 5.123987 -1.642045 -0.926055
N -1.662784 -0.330436 0.746918
C 3.126697 -2.831198 -0.063767
C 3.076256 -0.410492 -0.261516
C 1.141301 -1.604075 0.723037
C 4.661751 -2.808153 -0.137037
C 4.611472 -0.382957 -0.337033
C 0.655511 -0.552700 1.742056
C -0.872867 -0.605366 1.973889
C 6.587442 -1.626186 -1.105217
C -1.466666 0.899626 0.051365
C -2.815550 -1.126859 0.460816
C -1.777340 1.000851 -1.334626
C -3.275508 -1.268350 -0.878233
C -0.989821 2.060242 0.715887
C -3.545318 -1.784330 1.488738
C -1.618037 2.216377 -2.026349
C -0.769002 3.261642 0.005906
C -4.416817 -2.034917 -1.182838
C -1.084252 3.349427 -1.368124
C -4.665281 -2.586919 1.179891
C -5.108433 -2.716778 -0.154609
C 1.596633 4.134520 1.391742
C 2.533386 3.934434 0.194334
H 2.721254 -2.984855 -1.095534
H 2.802577 -3.682765 0.563739
H 2.723833 0.525000 0.209314
H 2.662702 -0.449797 -1.301049
H 0.599500 -1.468208 -0.245662
H 0.873429 -2.611245 1.099782
H 5.021137 -3.732862 -0.627007
H 5.071248 -2.786454 0.906144
H 5.019467 -0.215675 0.693596
H 4.932920 0.462656 -0.974418
H 1.157345 -0.739326 2.710894
H 0.955730 0.459240 1.417550
H -1.134967 -1.626442 2.300242
H -1.155049 0.080009 2.802371
H 6.874328 -0.776313 -1.750660
H 7.152002 -1.535002 -0.141696
H 6.911713 -2.557864 -1.603138
H -0.808829 2.035853 1.794393
H -3.251195 -1.656102 2.534827
H -1.880805 2.270714 -3.087938
H -4.751926 -2.110359 -2.222774
H -0.911698 4.281906 -1.912826
H -5.201879 -3.093408 1.989583
H -5.982218 -3.330470 -0.395601
H 1.460955 3.203419 1.968911
H 1.964015 4.917147 2.078411
H 2.122103 3.188955 -0.509710
H 2.678132 4.880105 -0.356361
H 3.524194 3.575456 0.535781


