%chk=000003542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003542

0 1
 S   0.5953000     -0.9602000     -0.2193000    
 O   0.3292000      -1.772200      0.9515000    
 O   0.5871000      -1.521100      -1.555400    
 N    2.054800     -0.1076000      2.6000001E-02
 N    4.699900      0.8172000      0.6574000    
 N   -4.754700     -0.7758000      0.4199000    
 C    3.192400     -0.3988000     -0.9057000    
 C    2.472000      9.4099998E-02   1.441600    
 C    4.264000      0.6867000     -0.7341000    
 C    3.565100       1.155100       1.516900    
 C    3.749500      -1.807300     -0.7010000    
 C  -0.7334000      0.2396000     -0.2514000    
 C   -2.050300     -0.1313000     -2.5500000E-02
 C  -0.3533000       1.541000     -0.5147000    
 C   -3.037200      0.8751000     -6.9100000E-02
 C   -1.331000       2.532300     -0.5572000    
 C   -2.438200      -1.449200      0.2419000    
 C   -2.668400       2.204100     -0.3357000    
 C   -4.359900      0.4909000      0.1599000    
 C   -3.782900      -1.712400      0.4540000    
 H    2.821800     -0.3149000      -1.934900    
 H    2.821000     -0.8518000       1.870200    
 H    1.613800      0.4382000       2.029900    
 H    5.133400      0.4509000      -1.358300    
 H    3.875500       1.651400      -1.085800    
 H    3.161800       2.135000       1.232100    
 H    3.914200       1.240100       2.551600    
 H    5.401400       1.554400      0.7221000    
 H    4.558800      -2.003400      -1.412500    
 H    4.152300      -1.952900      0.3062000    
 H    2.982500      -2.571700     -0.8577000    
 H   0.6736000       1.830600     -0.7082000    
 H   -1.052900       3.561200     -0.7666000    
 H   -1.771200      -2.300000      0.2436000    
 H   -3.419000       2.990100     -0.3734000    
 H   -5.168700       1.216400      0.1405000    
 H   -4.125200      -2.723300      0.6510000    


%chk=000003542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003542

0 1
S 0.717562 -0.834087 -1.356598
O 0.334701 -2.357731 -0.890711
O 1.244241 -0.561122 -2.875745
N 2.022541 -0.001313 -0.231271
N 4.201145 0.339830 1.473709
N -3.863806 -0.167783 1.888526
C 3.402521 -0.191944 -0.806240
C 1.889126 -0.444804 1.185863
C 4.297569 0.743836 0.059683
C 2.837096 0.463270 2.011793
C 3.923432 -1.646352 -0.838795
C -0.767362 0.332141 -1.065363
C -1.761678 0.084834 -0.065162
C -0.792021 1.430515 -1.917485
C -2.810374 1.084758 0.049676
C -1.842976 2.390299 -1.793667
C -1.830310 -1.046815 0.816280
C -2.827201 2.221991 -0.818091
C -3.818973 0.886615 1.055346
C -2.867842 -1.123654 1.746629
H 3.361089 0.210461 -1.834349
H 2.155051 -1.508947 1.337450
H 0.848700 -0.282171 1.518436
H 5.343945 0.643420 -0.280248
H 3.965147 1.794449 -0.116742
H 2.438038 1.505354 1.963416
H 2.820894 0.130371 3.065412
H 4.930613 0.733026 2.076446
H 4.864334 -1.684773 -1.417606
H 4.131120 -2.018625 0.177817
H 3.199782 -2.318682 -1.332618
H -0.014731 1.535673 -2.681997
H -1.862396 3.253126 -2.466420
H -1.099338 -1.855313 0.728455
H -3.633886 2.956485 -0.709819
H -4.616478 1.632912 1.168245
H -2.946175 -1.978750 2.425544


