%chk=000002608.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002608

0 1
 S    4.532400     -0.3451000     -0.1041000    
 O    5.258300      0.6477000      0.6858000    
 O    4.619200      -1.761900      0.2396000    
 N   -1.231100       1.048500      0.3398000    
 N    5.029200     -0.1627000      -1.742200    
 N   -2.381800      -1.023600      0.5685000    
 N   -4.715300      -1.170300     -1.5699999E-02
 N   -5.858900      0.7575000     -0.8189000    
 C    2.840100      6.3900001E-02  2.6400000E-02
 C   0.1361000      0.7179000      0.2353000    
 C    2.459100       1.378500      0.2962000    
 C    1.868900     -0.9237000     -0.1390000    
 C    1.107200       1.705400      0.4007000    
 C   0.5169000     -0.5966000     -3.4499999E-02
 C   -2.408600      0.2846000      0.2233000    
 C   -3.545000      0.9209000     -0.2441000    
 C   -4.677100      0.1380000     -0.3436000    
 C   -3.549600      -1.679300      0.4266000    
 H    3.196600       2.166400      0.4205000    
 H    2.140300      -1.951100     -0.3648000    
 H   0.8243000       2.734100      0.6092000    
 H  -0.1927000      -1.397500     -0.2014000    
 H   -1.401200       2.031700      0.5327000    
 H   -3.546500       1.970300     -0.5170000    
 H    5.286200      -1.034100      -2.225500    
 H    4.414700      0.4118000      -2.335000    
 H   -3.551100      -2.728100      0.6969000    
 H   -5.791800       1.081800      -1.779800    
 H   -6.211100       1.488600     -0.2069000    


%chk=000002608-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002608

0 1
S 4.639741 -0.367903 0.093059
O 5.424798 0.862244 0.820525
O 4.774800 -1.921867 0.566744
N -1.250830 1.104041 -0.027662
N 5.170999 -0.277989 -1.675395
N -2.391106 -0.999431 -0.164579
N -4.830282 -1.074161 -0.224598
N -6.122678 0.867535 -0.148765
C 2.820126 0.055291 0.035786
C 0.099123 0.688322 -0.010533
C 2.451979 1.410191 0.088105
C 1.884197 -0.988819 -0.028806
C 1.082485 1.720581 0.066043
C 0.511329 -0.674574 -0.052182
C -2.441011 0.373426 -0.092801
C -3.674397 1.078382 -0.083533
C -4.864864 0.308188 -0.151159
C -3.596506 -1.632812 -0.226134
H 3.214152 2.191189 0.167309
H 2.220114 -2.030765 -0.035950
H 0.770241 2.771652 0.110890
H -0.252611 -1.451512 -0.099788
H -1.382539 2.116755 0.018743
H -3.707956 2.171845 -0.025692
H 5.362068 -1.239618 -2.004228
H 6.006212 0.331437 -1.707808
H -3.560614 -2.725450 -0.283451
H -6.919913 0.236064 -0.198947
H -6.269356 1.871356 -0.096193


