%chk=000152604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152604

0 1
 S    6.908900     -0.1748000      0.5998000    
 O    7.538400      0.5413000     -0.4959000    
 O    6.972800      0.3352000       1.958300    
 N   -1.036600      0.2216000      -1.363500    
 N   -4.513700     -0.4077000      0.8908000    
 N    7.457600      -1.788800      0.5907000    
 C   -2.215600      8.0000004E-03 -0.5991000    
 C   -2.624400      -1.296700     -0.3047000    
 C   -2.957000       1.104500     -0.1478000    
 C    4.420400      0.8775000      0.1146000    
 C    2.990600      0.7053000     -0.2730000    
 C    5.211400     -0.4313000      0.1870000    
 C   0.3067000      0.3832000     -0.9997000    
 C   -3.796000      -1.460400      0.4536000    
 C   -4.115500      0.8469000      0.6045000    
 C    2.622900      0.7429000      -1.618000    
 C    2.020900      0.5071000      0.7098000    
 C    1.285400      0.5824000      -1.980100    
 C   0.6835000      0.3466000      0.3478000    
 C   -1.898700      -2.417200     -0.7454000    
 C   -2.569500       2.426400     -0.4287000    
 C   -4.208300      -2.756900      0.7499000    
 C   -4.857900       1.934600       1.056600    
 C   -2.332300      -3.702800     -0.4356000    
 C   -3.329100       3.496200      3.5100002E-02
 C   -3.489500      -3.872600      0.3135000    
 C   -4.475600       3.249400      0.7793000    
 H    4.906700       1.562500     -0.5928000    
 H    4.476600       1.394100       1.082100    
 H    5.183700     -0.9465000     -0.7795000    
 H    4.782500      -1.093200      0.9472000    
 H   -1.219000      0.2644000      -2.361800    
 H    3.369400      0.8945000      -2.393200    
 H    2.295200      0.4738000       1.761000    
 H    1.014200      0.6136000      -3.032600    
 H  -5.0200000E-02  0.1932000       1.134900    
 H  -0.9922000      -2.320400      -1.337300    
 H   -1.681300       2.655000      -1.011800    
 H   -5.111900      -2.916200       1.335500    
 H   -5.760400       1.767300       1.641800    
 H   -1.770800      -4.566600     -0.7780000    
 H   -3.028500       4.516200     -0.1841000    
 H   -3.836800      -4.871600      0.5605000    
 H   -5.075800       4.077000       1.145900    
 H    7.149300      -2.403800       1.353900    
 H    7.534700      -2.263300     -0.3173000    


%chk=000152604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152604

0 1
S 6.974176 -0.938836 0.397060
O 7.785893 0.060231 -0.603363
O 7.118976 -0.841030 2.017624
N -1.034711 0.870608 -1.177461
N -4.635163 -0.461840 0.781630
N 7.371693 -2.684617 -0.103860
C -2.188217 0.412817 -0.497126
C -2.335277 -0.946366 -0.066516
C -3.279505 1.324080 -0.305139
C 4.566759 0.562566 0.306424
C 3.092232 0.647389 -0.068498
C 5.096461 -0.835235 -0.049007
C 0.322992 0.752492 -0.788869
C -3.578806 -1.317988 0.605416
C -4.499776 0.819984 0.316270
C 2.691562 1.065806 -1.363365
C 2.079182 0.284705 0.855825
C 1.331761 1.115451 -1.724524
C 0.714185 0.339588 0.514613
C -1.357896 -1.973001 -0.313666
C -3.221514 2.713816 -0.673954
C -3.738094 -2.669104 1.077712
C -5.619073 1.710603 0.476086
C -1.559238 -3.275327 0.136140
C -4.322754 3.549208 -0.496325
C -2.751692 -3.624375 0.857993
C -5.539665 3.039242 0.070921
H 5.153188 1.324013 -0.239590
H 4.706740 0.741002 1.388073
H 5.078039 -1.062492 -1.126102
H 4.646029 -1.649911 0.538779
H -1.208918 1.525900 -1.942266
H 3.451800 1.361975 -2.096699
H 2.360203 -0.025480 1.869897
H 1.045566 1.435841 -2.734042
H -0.045374 0.082152 1.258181
H -0.450115 -1.727097 -0.870757
H -2.289522 3.137186 -1.066063
H -4.672438 -2.904576 1.596206
H -6.521994 1.294419 0.933056
H -0.806777 -4.044749 -0.068359
H -4.257669 4.606675 -0.774686
H -2.886954 -4.650623 1.216589
H -6.397952 3.707706 0.198969
H 7.691809 -3.184990 0.743924
H 8.105048 -2.637918 -0.832949


