%chk=000121342.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121342

0 1
 S  -0.8624000     -0.5697000       1.535100    
 S   0.8691000      0.5301000       1.524300    
 N   -2.587300       2.590300     -0.3933000    
 N    2.607400      -2.594400     -0.3979000    
 C   -1.848100      0.3164000      0.2648000    
 C    1.846500     -0.3297000      0.2681000    
 C   -1.880600       1.813000      0.6243000    
 C    1.895100      -1.827100      0.6234000    
 C   -3.206600     -0.3384000      9.7700000E-02
 C    3.197900      0.3393000      9.9900000E-02
 C   -3.337600      -1.399000     -0.7790000    
 C    3.316200       1.403500     -0.7742000    
 C   -4.278200      0.1421000      0.8265000    
 C    4.276000     -0.1322000      0.8251000    
 C   -2.650400       3.999600     -7.8999996E-03
 C   -1.933100       2.444700      -1.693200    
 C    2.685600      -4.003900     -1.6200000E-02
 C    1.948900      -2.451900      -1.695900    
 C   -4.586400      -2.001300     -0.9327000    
 C    4.558500       2.018800     -0.9289000    
 C   -5.526900     -0.4603000      0.6728000    
 C    5.518200      0.4833000      0.6705000    
 C   -5.680900      -1.532000     -0.2067000    
 C    5.659300       1.558800     -0.2066000    
 H   -1.284900      0.1694000     -0.6637000    
 H    1.284400     -0.1893000     -0.6621000    
 H   -2.346000       1.969800       1.605900    
 H  -0.8774000       2.241300      0.7016000    
 H    2.364800      -1.982800       1.603300    
 H   0.8964000      -2.266600      0.7016000    
 H   -2.491500      -1.772500      -1.348300    
 H    2.465200       1.769900      -1.340800    
 H   -4.198500      0.9565000       1.536900    
 H    4.206100     -0.9493000       1.533500    
 H   -3.229400       4.573300     -0.7402000    
 H   -1.655900       4.452800      7.6099999E-02
 H   -3.164500       4.114000      0.9530000    
 H   -2.091700       1.453100      -2.126800    
 H  -0.8573000       2.650900      -1.649000    
 H   -2.372500       3.140200      -2.418900    
 H    3.268800      -4.569900     -0.7512000    
 H    1.695900      -4.467400      6.8599999E-02
 H    3.203000      -4.115700      0.9432000    
 H    2.098800      -1.458300      -2.128500    
 H   0.8749000      -2.667000      -1.649600    
 H    2.392200      -3.142600      -2.423800    
 H   -4.706300      -2.836000      -1.617200    
 H    4.668300       2.856500      -1.611300    
 H   -6.378600     -9.8800004E-02   1.241800    
 H    6.374700      0.1289000       1.236500    
 H   -6.652900      -2.001700     -0.3252000    
 H    6.626200       2.038800     -0.3259000    


%chk=000121342-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121342

0 1
S -1.038105 -0.455874 1.411845
S 1.044789 0.456543 1.410828
N -2.906095 3.048227 0.003416
N 2.908347 -3.048177 -0.001886
C -1.973439 0.702530 0.157583
C 1.978633 -0.701521 0.155131
C -2.117409 2.089167 0.811369
C 2.121266 -2.088983 0.807473
C -3.248968 -0.038072 -0.194496
C 3.254856 0.038062 -0.196515
C -3.224842 -1.007565 -1.232834
C 3.231931 1.007533 -1.234891
C -4.465389 0.181879 0.502023
C 4.470821 -0.182831 0.500514
C -3.175054 4.289289 0.757960
C -2.325379 3.320189 -1.326383
C 3.175955 -4.290445 0.751140
C 2.326769 -3.317829 -1.331776
C -4.383714 -1.737680 -1.571117
C 4.391541 1.736679 -1.572750
C -5.625639 -0.551040 0.168761
C 5.631800 0.549120 0.167690
C -5.590248 -1.512820 -0.867215
C 5.597610 1.510867 -0.868363
H -1.299775 0.743418 -0.714397
H 1.304700 -0.740813 -0.716719
H -2.616722 1.976479 1.792286
H -1.083411 2.467740 1.019758
H 2.621239 -1.977920 1.788240
H 1.086907 -2.466490 1.016038
H -2.287561 -1.190719 -1.773472
H 2.295024 1.191418 -1.775932
H -4.511737 0.941400 1.287644
H 4.516208 -0.942295 1.286255
H -3.836863 4.947050 0.166638
H -2.249064 4.866513 1.010205
H -3.691068 4.045955 1.704419
H -2.303361 2.397529 -1.932155
H -1.285499 3.734853 -1.278582
H -2.961239 4.049801 -1.858304
H 3.836686 -4.948405 0.158832
H 2.249300 -4.866743 1.003067
H 3.692637 -4.048866 1.697683
H 2.305835 -2.394455 -1.936501
H 1.286329 -3.731108 -1.284077
H 2.961424 -4.047727 -1.864746
H -4.348119 -2.479035 -2.377280
H 4.356873 2.478019 -2.378968
H -6.559324 -0.367742 0.712327
H 6.565114 0.365100 0.711650
H -6.492679 -2.078388 -1.125545
H 6.500606 2.075682 -1.126369


