%chk=000109044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109044

0 1
 S    3.168800       2.143200      -1.674100    
 O   -6.259100      -2.844300      0.3797000    
 N   -4.890800     -0.4515000     -0.2386000    
 N   0.6981000     -0.2026000     -1.9500000E-02
 N    1.115400      0.7430000     -0.7285000    
 N    3.354600      0.1590000     -0.1091000    
 N    4.726700       1.721100      -1.231900    
 C   -5.713900      0.2724000      0.6999000    
 C   -5.986200       1.688900      0.2008000    
 C   -5.547200      -1.253400      -1.273000    
 C   -6.818500       2.512300       1.187100    
 C   -3.491100     -0.3893000     -0.1840000    
 C   -5.573100      -2.714900     -0.8593000    
 C   -8.197300       1.904400       1.392700    
 C   -2.716200      -1.101100      -1.106100    
 C   -2.856800      0.3855000      0.7932000    
 C   -1.323800      -1.039200      -1.051700    
 C   -1.464300      0.4473000      0.8476000    
 C  -0.6979000     -0.2650000     -7.4900001E-02
 C    5.771200      5.2299999E-02  0.1508000    
 C    4.602700      0.6713000     -0.4197000    
 C    2.469800      0.8876000     -0.7432000    
 C    5.649300     -0.7418000       1.288600    
 C    7.017900      0.2503000     -0.4378000    
 C    6.781100      -1.341200       1.841300    
 C    8.149500     -0.3493000      0.1149000    
 C    8.031100      -1.145000       1.254600    
 H   -6.671900     -0.2524000      0.7962000    
 H   -5.311900      0.2652000       1.719100    
 H   -6.496600       1.651800     -0.7701000    
 H   -5.040900       2.216700      2.7000001E-02
 H   -5.102700      -1.110200      -2.263900    
 H   -6.585000     -0.9100000      -1.379400    
 H   -6.300000       2.593600       2.149100    
 H   -6.930700       3.528600      0.7923000    
 H   -4.573200      -3.139400     -0.7371000    
 H   -6.107700      -3.305000      -1.610500    
 H   -8.701700       1.727400      0.4376000    
 H   -8.819900       2.588100       1.979400    
 H   -8.148000      0.9607000       1.943600    
 H   -3.136800      -1.718700      -1.891900    
 H   -3.395100      0.9730000       1.529000    
 H  -0.7343000      -1.597600      -1.774400    
 H  -0.9849000       1.055200       1.610800    
 H   -6.271400      -3.790900      0.6016000    
 H    4.689900     -0.9081000       1.771900    
 H    7.146300      0.8571000      -1.330600    
 H    6.689500      -1.959600       2.729400    
 H    9.122900     -0.1983000     -0.3426000    
 H    8.912200      -1.611800       1.684900    


%chk=000109044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109044

0 1
S 3.337761 2.739135 1.429197
O -6.741063 -2.601842 1.129448
N -4.899801 -0.564688 -0.082644
N 0.729690 0.002934 0.187710
N 1.226217 1.121517 0.711022
N 3.562609 0.312991 0.376850
N 4.976875 2.078151 1.154932
C -5.847306 0.419326 0.498978
C -6.180454 1.586690 -0.463663
C -5.502008 -1.737202 -0.744219
C -7.146950 2.623768 0.159773
C -3.523044 -0.403700 -0.005135
C -5.674621 -2.954996 0.178579
C -8.560655 2.071811 0.455910
C -2.616705 -1.415265 -0.483175
C -2.944413 0.791040 0.563357
C -1.234266 -1.234775 -0.400712
C -1.564745 0.960743 0.646084
C -0.672019 -0.050787 0.163107
C 6.040166 0.037997 0.278789
C 4.838654 0.832682 0.613196
C 2.615511 1.176187 0.743059
C 5.892051 -1.260243 -0.277439
C 7.340998 0.560441 0.508651
C 7.033267 -2.025390 -0.598590
C 8.476768 -0.208986 0.185403
C 8.328186 -1.503886 -0.368919
H -6.758818 -0.138833 0.766337
H -5.435064 0.812469 1.446770
H -6.629735 1.174727 -1.390244
H -5.240872 2.088780 -0.765619
H -4.906533 -2.025347 -1.628766
H -6.504186 -1.451923 -1.111283
H -6.702715 3.025978 1.093603
H -7.233292 3.482104 -0.534572
H -4.724163 -3.179058 0.703678
H -5.968024 -3.834973 -0.433455
H -9.019492 1.652364 -0.459487
H -9.225778 2.871609 0.828918
H -8.543069 1.273655 1.220155
H -2.996262 -2.347562 -0.908742
H -3.594696 1.590101 0.928229
H -0.542940 -2.003570 -0.761346
H -1.134665 1.871587 1.073906
H -6.808991 -3.290701 1.835785
H 4.881513 -1.644487 -0.447323
H 7.439700 1.562595 0.937515
H 6.913557 -3.026610 -1.027518
H 9.478268 0.198185 0.364269
H 9.213655 -2.099341 -0.619158


