%chk=000032890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032890

0 1
 S    1.970700       3.173000      0.1964000    
 O   -5.855900       1.136300     -0.5313000    
 N    1.217100      0.1749000      0.5237000    
 N   0.1369000      -4.568100     -0.4923000    
 N   -4.613900       1.767900     -0.4644000    
 C   0.8976000      -1.139600       1.095400    
 C   0.6521000      -2.200200      2.3900000E-02
 C   0.1360000       1.056400      0.2692000    
 C    2.574100      0.4367000      0.2067000    
 C   0.3489000      -3.596800      0.5740000    
 C   0.3531000       2.435600      7.9000004E-02
 C    3.032600       1.754300      9.9999998E-03
 C   -1.194200      0.5959000      0.1587000    
 C   -2.258100       1.462900     -0.1048000    
 C    3.516300     -0.6015000      3.7999999E-02
 C  -0.7217000       3.304200     -0.1810000    
 C   -2.022100       2.818900     -0.2718000    
 C    4.377700       2.007800     -0.3126000    
 C   -3.612300      0.9428000     -0.2122000    
 C    4.850800     -0.3443000     -0.2877000    
 C   -1.000900      -4.177600      -1.326700    
 C  -7.6899998E-02  -5.905700      6.3299999E-02
 C    5.282700      0.9620000     -0.4601000    
 C   -3.877100     -0.5709000     -2.6100000E-02
 C   -4.113800     -0.9247000       1.432700    
 H   3.7099998E-02  -1.078700       1.775400    
 H    1.704700      -1.470000       1.764000    
 H    1.496800      -2.275500     -0.6682000    
 H  -0.1759000      -1.859700     -0.6020000    
 H  -0.5215000      -3.545200       1.241700    
 H    1.204000      -3.910100       1.186300    
 H   -1.397100     -0.4515000      0.3192000    
 H    3.266000      -1.646500      0.1821000    
 H  -0.5557000       4.371200     -0.3164000    
 H   -2.821700       3.524900     -0.4766000    
 H    4.735300       3.026000     -0.4528000    
 H    5.550200      -1.167900     -0.3987000    
 H   -1.898900      -3.959800     -0.7369000    
 H   -1.252400      -4.981900      -2.029000    
 H  -0.7664000      -3.316400      -1.959500    
 H  -0.9723000      -5.953100      0.6938000    
 H   0.7855000      -6.215600      0.6642000    
 H  -0.1794000      -6.644900     -0.7390000    
 H    6.319100       1.167500     -0.7097000    
 H   -4.753300     -0.8669000     -0.6135000    
 H   -3.070200      -1.173200     -0.4513000    
 H   -3.239000     -0.6898000       2.047000    
 H   -4.326200      -1.993300       1.535600    
 H   -4.963100     -0.3656000       1.838600    
 H   -6.446400       1.885400     -0.7180000    


%chk=000032890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000032890

0 1
S 2.022433 3.277048 0.524728
O -5.833270 0.919591 -0.292781
N 1.379470 0.214409 0.595062
N -0.218648 -4.527713 -0.299049
N -4.541543 1.614705 -0.199282
C 1.106811 -1.155433 1.088018
C 0.790989 -2.228900 0.005397
C 0.264671 1.063839 0.316518
C 2.708919 0.545057 0.192829
C -0.017089 -3.389028 0.623215
C 0.417999 2.472019 0.181597
C 3.130655 1.897724 0.043325
C -1.046607 0.530977 0.183376
C -2.177692 1.352620 -0.066611
C 3.675273 -0.468712 -0.061380
C -0.691838 3.293306 -0.108373
C -1.983921 2.751686 -0.223063
C 4.436094 2.218658 -0.375758
C -3.536351 0.749143 -0.174113
C 4.996907 -0.146536 -0.438809
C -1.044649 -4.185153 -1.473999
C -0.741042 -5.716443 0.408111
C 5.386118 1.198099 -0.609566
C -3.738985 -0.757167 -0.216602
C -3.944415 -1.361098 1.200319
H 0.249119 -1.084530 1.783783
H 1.973554 -1.475450 1.694293
H 1.714471 -2.643863 -0.436392
H 0.232855 -1.757613 -0.823091
H -1.000024 -2.989128 1.002684
H 0.528282 -3.771177 1.509288
H -1.195789 -0.544073 0.287897
H 3.397589 -1.521217 0.022901
H -0.536772 4.371121 -0.226663
H -2.843289 3.393483 -0.431089
H 4.713367 3.271521 -0.496799
H 5.714037 -0.955865 -0.613859
H -2.072528 -3.829559 -1.197027
H -1.154488 -5.076066 -2.116720
H -0.558578 -3.397969 -2.074167
H -1.758649 -5.558271 0.849434
H -0.053469 -5.996374 1.226058
H -0.802817 -6.567967 -0.292519
H 6.404981 1.454493 -0.916042
H -4.638427 -0.968647 -0.820609
H -2.881463 -1.240889 -0.717729
H -3.080800 -1.158893 1.859602
H -4.080361 -2.456171 1.135975
H -4.843822 -0.929775 1.671584
H -6.468367 1.679780 -0.327607


