%chk=000032181.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032181

0 1
 S   0.7309000       3.598000     -0.3058000    
 O   -3.138300       1.041000      0.9045000    
 O    3.067100       2.121000     -0.2528000    
 N    1.024100      0.9834000     -8.8000000E-03
 N   -1.598900     -0.2923000     -0.2702000    
 N  -0.7489000       4.354300     -0.2740000    
 C   -1.243400       2.076600      4.7699999E-02
 C   0.1074000       2.038000     -6.1500002E-02
 C   -1.682500       3.425400     -8.1000000E-02
 C   -2.075400      0.9219000      0.2594000    
 C   -2.196000      -1.553900     -0.1829000    
 C   -3.090300       3.875700     -1.7800000E-02
 C    3.138800     -0.1859000      1.2600000E-02
 C    2.419200       1.072300     -0.1041000    
 C   -3.405600      -1.704400      0.4920000    
 C   -1.579700      -2.655700     -0.7721000    
 C    4.449800     -0.1982000      0.4888000    
 C    2.518000      -1.380600     -0.3518000    
 C   -4.001600      -2.962600      0.5781000    
 C   -2.175600      -3.913900     -0.6860000    
 C    5.140100      -1.405200      0.6005000    
 C    3.208100      -2.587600     -0.2400000    
 C   -3.386600      -4.067400     -1.0900000E-02
 C    4.519200      -2.599800      0.2361000    
 H   0.6155000      8.7899998E-02  0.2341000    
 H  -0.7660000     -0.2618000     -0.8513000    
 H   -3.476900       3.785100       1.002500    
 H   -3.196400       4.923300     -0.3207000    
 H   -3.721600       3.279000     -0.6843000    
 H   -3.952000     -0.9097000      0.9764000    
 H  -0.6383000      -2.551300      -1.304400    
 H    4.951200      0.7200000      0.7834000    
 H    1.515300      -1.415700     -0.7651000    
 H   -4.944600      -3.084000       1.103400    
 H   -1.697200      -4.774000      -1.145300    
 H    6.160700      -1.415100      0.9720000    
 H    2.728200      -3.517100     -0.5322000    
 H   -3.850700      -5.047100      5.6000002E-02
 H    5.057200      -3.539400      0.3212000    


%chk=000032181-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032181

0 1
S 0.858818 3.789938 -0.420660
O -3.015956 1.045009 1.152498
O 3.000168 2.060138 -0.394251
N 0.983014 1.008966 0.038728
N -1.737483 -0.139745 -0.436609
N -0.812253 4.523344 -0.361436
C -1.210906 2.191167 -0.004538
C 0.186941 2.144785 -0.122869
C -1.714852 3.552668 -0.121382
C -2.077586 1.013762 0.301758
C -2.261432 -1.463618 -0.323146
C -3.170172 3.936533 -0.021228
C 3.066948 -0.319521 0.128483
C 2.379658 0.992687 -0.097048
C -3.213752 -1.841675 0.660827
C -1.770518 -2.433375 -1.240796
C 4.486142 -0.298451 0.164794
C 2.387069 -1.557559 0.293872
C -3.652446 -3.182712 0.714046
C -2.224278 -3.766071 -1.176676
C 5.213448 -1.486826 0.373092
C 3.117935 -2.746504 0.501352
C -3.167525 -4.150739 -0.195005
C 4.531452 -2.714674 0.544430
H 0.499858 0.160097 0.347235
H -1.150116 0.028344 -1.259879
H -3.584387 3.618443 0.950482
H -3.272401 5.026948 -0.133650
H -3.766081 3.437339 -0.807432
H -3.601867 -1.090138 1.350070
H -1.042062 -2.142072 -2.009784
H 4.991193 0.662878 0.026163
H 1.292742 -1.631539 0.251550
H -4.388285 -3.468433 1.473890
H -1.843000 -4.501178 -1.893839
H 6.307654 -1.457728 0.402941
H 2.585362 -3.695008 0.626868
H -3.521736 -5.185564 -0.144508
H 5.094993 -3.639714 0.707357


