%chk=000025280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025280

2 1
 S  -6.8999999E-03   2.825800     -7.1000000E-03
 N    2.772600     -0.2390000     -0.2102000    
 N   -2.747000     -0.2116000      0.1949000    
 C    1.769200      0.7316000      0.3956000    
 C   -1.771100      0.7330000     -0.4013000    
 C    3.398900      -1.077100      0.8950000    
 C   -3.397000      -1.082300     -0.8897000    
 C    1.190900       1.635200     -0.6810000    
 C   -1.194800       1.644300      0.6697000    
 C    2.061700      -1.152500      -1.198400    
 C    3.860500      0.5419000     -0.9332000    
 C   -2.059800      -1.142200       1.204200    
 C   -3.862100      0.5468000      0.9286000    
 C    2.312800      -1.850700       1.609900    
 C   -2.327700      -1.903200      -1.576900    
 H    2.289600       1.306300       1.171200    
 H   0.9794000      0.1358000      0.8502000    
 H   -2.286600       1.308200      -1.180400    
 H  -0.9806000      0.1409000     -0.8599000    
 H    3.924400     -0.4006000       1.578300    
 H    4.126400      -1.754700      0.4339000    
 H   -3.905000     -0.4138000      -1.593700    
 H   -4.139500      -1.728400     -0.4080000    
 H   0.7393000       1.107000      -1.521700    
 H    1.970800       2.273600      -1.105600    
 H  -0.7412000       1.120600       1.512400    
 H   -1.976400       2.281600       1.092800    
 H    1.900800     -0.6155000      -2.137800    
 H    2.703800      -2.016200      -1.398400    
 H    1.096900      -1.469200     -0.7936000    
 H    4.656000     -0.1602000      -1.203700    
 H    3.463700      0.9866000      -1.849200    
 H    4.253200       1.306200     -0.2560000    
 H   -1.894300     -0.5981000       2.138500    
 H   -2.721800      -1.990200       1.405300    
 H   -1.099300      -1.476600      0.8035000    
 H   -4.271000       1.300500      0.2495000    
 H   -4.638900     -0.1742000       1.203100    
 H   -3.468600       1.001800       1.840800    
 H    2.793800      -2.523200       2.331300    
 H    1.650600      -1.218800       2.207500    
 H    1.714400      -2.494200      0.9613000    
 H   -2.817300      -2.558600      -2.307800    
 H   -1.621600      -1.301400      -2.154700    
 H   -1.774900      -2.567000     -0.9083000    


%chk=000025280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025280

2 1
S -0.004443 0.620462 0.005870
N 4.052158 -0.484665 0.314735
N -4.054081 -0.507515 -0.307907
C 2.705781 0.275520 0.264825
C -2.712216 0.260137 -0.255727
C 5.212268 0.556789 0.486122
C -5.219121 0.527316 -0.485756
C 1.456897 -0.603138 0.062735
C -1.457971 -0.612000 -0.058358
C 4.077719 -1.486236 1.468269
C 4.303592 -1.225167 -1.000503
C -4.070797 -1.512602 -1.458519
C -4.305491 -1.245565 1.008810
C 5.198697 1.362245 1.787828
C -5.210556 1.323170 -1.793380
H 2.798526 1.006866 -0.557995
H 2.622025 0.827844 1.214608
H -2.808662 0.987447 0.570255
H -2.632290 0.817108 -1.203149
H 5.146011 1.220318 -0.394131
H 6.141285 -0.033769 0.403466
H -5.154900 1.197678 0.389454
H -6.145377 -0.066768 -0.397664
H 1.289903 -1.292096 0.906531
H 1.472150 -1.156874 -0.889374
H -1.286778 -1.295010 -0.906125
H -1.469903 -1.171445 0.890479
H 3.387478 -2.314416 1.250469
H 5.099522 -1.882773 1.569841
H 3.780755 -0.984711 2.400142
H 5.296694 -1.697666 -0.956514
H 3.540335 -2.003013 -1.145347
H 4.274082 -0.505025 -1.832675
H -3.378905 -2.337869 -1.234874
H -5.090800 -1.912805 -1.563748
H -3.771087 -1.012916 -2.390520
H -4.289006 -0.521707 1.838099
H -5.292990 -1.729230 0.960658
H -3.534475 -2.014178 1.161552
H 6.082093 2.025235 1.767832
H 4.319793 2.019294 1.893616
H 5.299575 0.735119 2.688780
H -6.096050 1.983456 -1.776535
H -4.333963 1.982233 -1.905807
H -5.311175 0.689124 -2.689466


