%chk=000088125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088125

0 1
 S   -2.224700     -0.3476000     -0.7460000    
 O   -2.318500      0.5270000      -1.905000    
 O   -2.788200      -1.688600     -0.8022000    
 N    2.774200       1.214600     -0.4453000    
 N    3.495400     -0.5642000      0.6751000    
 N    5.047000       1.187200      8.4100001E-02
 C   -2.989000      0.4804000      0.6293000    
 C  -0.5384000     -0.4632000     -0.2971000    
 C   -4.480300      0.6668000      0.4038000    
 C    1.670300      0.4204000     -0.2695000    
 C   0.3367000      0.5684000     -0.6525000    
 C    2.146300     -0.6835000      0.4323000    
 C  -9.0599999E-02  -1.583200      0.4071000    
 C    1.253100      -1.710400      0.7812000    
 C   -5.132400       1.391800       1.569100    
 C    3.838900      0.5840000      0.1359000    
 H   -2.491200       1.448300      0.7470000    
 H   -2.805600     -0.1258000       1.522400    
 H   -4.654500       1.236700     -0.5164000    
 H   -4.966100     -0.3064000      0.2680000    
 H   9.8999999E-03   1.449700      -1.192900    
 H  -0.7776000      -2.378200      0.6863000    
 H    1.591200      -2.583800       1.329600    
 H    2.797300       2.107100     -0.9202000    
 H   -6.204700       1.515000       1.387000    
 H   -5.008400      0.8292000       2.499900    
 H   -4.695000       2.385800       1.707000    
 H    5.870100      0.7627000      0.4991000    
 H    5.192600       2.085700     -0.3659000    


%chk=000088125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088125

0 1
S -2.233782 -0.252366 -0.765414
O -2.303347 0.842695 -1.989001
O -2.850023 -1.763381 -0.921877
N 2.932976 1.236147 -0.573014
N 3.626871 -0.543012 0.701349
N 5.291387 1.058930 0.022427
C -3.147406 0.555241 0.749647
C -0.426270 -0.385304 -0.243013
C -4.637333 0.666179 0.423391
C 1.776535 0.470189 -0.322854
C 0.436249 0.627052 -0.704074
C 2.239043 -0.638879 0.475475
C -0.027639 -1.506815 0.517132
C 1.328140 -1.636803 0.891227
C -5.417048 1.280440 1.610229
C 4.002179 0.582594 0.060599
H -2.641517 1.526678 0.875356
H -2.924715 -0.125184 1.588329
H -4.767752 1.289847 -0.480520
H -5.033485 -0.339508 0.189182
H 0.053664 1.434134 -1.337854
H -0.762132 -2.276588 0.775670
H 1.676822 -2.491763 1.476781
H 2.974829 2.091671 -1.122917
H -6.490855 1.355163 1.362409
H -5.322525 0.659148 2.519989
H -5.054051 2.296819 1.850860
H 6.001830 0.514536 0.503830
H 5.557155 1.898042 -0.482142


