%chk=000026124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026124

0 1
 S    2.061300     -0.5597000      -2.406900    
 P    2.184400     -0.1444000     -0.5053000    
 O    1.210800       1.027400      5.5300001E-02
 O    1.827900      -1.363900      0.5134000    
 O    3.635700      0.3199000      6.4900003E-02
 N  -0.7713000     -0.1324000     -0.2867000    
 N   -2.195700       2.029800      0.7208000    
 C   -2.112800     -0.1725000     -0.2063000    
 C   -2.834200      0.9224000      0.3040000    
 C  -0.1515000      0.9843000      0.1356000    
 C    2.478100      -2.615700      0.3705000    
 C    4.171700       1.576600     -0.3129000    
 C   -2.807300      -1.303500     -0.6294000    
 C   -4.223300      0.8457000      0.3725000    
 C  -0.8537000       2.050100      0.6323000    
 C   -4.197600      -1.369900     -0.5565000    
 C   -4.908600     -0.2907000     -5.3399999E-02
 C    1.966400      -3.561600       1.435900    
 C    5.519500       1.757900      0.3521000    
 H    2.266700      -3.034000     -0.6174000    
 H    3.558600      -2.475400      0.4736000    
 H    4.282700       1.614400      -1.400600    
 H    3.489700       2.372800      1.9999999E-04
 H   -2.261600      -2.157300      -1.026100    
 H   -4.793900       1.685200      0.7651000    
 H  -0.3695000       2.956000      0.9761000    
 H   -4.719200      -2.261100     -0.8917000    
 H    2.448700      -4.539800       1.354800    
 H    2.156100      -3.155600       2.435000    
 H   0.8829000      -3.692800       1.346500    
 H    5.962500       2.720300      8.1600003E-02
 H    5.421700       1.707300       1.441600    
 H    6.205800      0.9573000      5.6899998E-02
 H   -5.991900     -0.3296000      8.8000000E-03


%chk=000026124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026124

0 1
S 2.307287 -0.393722 -2.376339
P 2.419512 -0.112404 -0.341654
O 1.305189 1.137165 0.343553
O 2.326867 -1.444736 0.727745
O 3.843858 0.572898 0.319347
N -0.585518 -0.209796 -0.072834
N -2.212711 2.054443 0.613753
C -1.974116 -0.300686 -0.110105
C -2.794358 0.842156 0.239145
C -0.066105 0.969044 0.280485
C 1.669117 -2.706082 0.251181
C 4.380246 1.826698 -0.299035
C -2.602031 -1.522656 -0.492756
C -4.215656 0.730466 0.199303
C -0.875828 2.115026 0.629216
C -3.998735 -1.605888 -0.524211
C -4.809259 -0.479014 -0.176802
C 1.713885 -3.658604 1.441077
C 5.765271 2.028186 0.306166
H 0.638308 -2.458042 -0.058128
H 2.236060 -3.090011 -0.617015
H 4.420401 1.696965 -1.398001
H 3.693551 2.656707 -0.050857
H -1.969529 -2.373756 -0.763463
H -4.807801 1.610585 0.468107
H -0.396200 3.054909 0.916962
H -4.480595 -2.543954 -0.820376
H 1.258778 -4.625513 1.156201
H 2.753985 -3.842226 1.758992
H 1.152695 -3.244615 2.295406
H 6.215245 2.954930 -0.095507
H 5.701464 2.117166 1.403621
H 6.425944 1.180165 0.060160
H -5.900122 -0.568301 -0.209036


