%chk=000095846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095846

0 1
 S   -4.336500       1.194000     -0.5104000    
 O    2.596600      0.4872000      0.9703000    
 O    2.940600      -2.469500     -0.2268000    
 O    4.499100     -0.8494000      -1.769000    
 O    4.758300       2.269100       1.327800    
 N   0.3908000      4.3400001E-02  0.2139000    
 N   -1.106800       1.545100     -0.4790000    
 N   -1.101600      -1.758400      0.8687000    
 N   -3.437300      -1.156200      0.4968000    
 C    2.347900      -1.249100     -0.6678000    
 C    1.693900     -0.5472000      0.5237000    
 C    3.404300     -0.2529000      -1.107300    
 C    3.810900      0.3879000      0.2083000    
 C    4.429400       1.764800      4.5200001E-02
 C  -0.8356000     -0.5360000      0.3841000    
 C   0.1740000       1.293000     -0.3067000    
 C   -1.749400      0.4104000     -5.1399998E-02
 C   -3.094900      6.3699998E-02  1.7100001E-02
 C   -2.434100      -1.979300      0.8870000    
 C   -5.869100      0.2592000     -0.2123000    
 C   -7.080300       1.080200     -0.6120000    
 H    1.656100      -1.501500      -1.477800    
 H    1.538400      -1.224700       1.371200    
 H    2.944700      0.4885000      -1.772500    
 H    4.499600     -0.2552000      0.7713000    
 H    3.730800       2.467900     -0.4201000    
 H    5.343100       1.725600     -0.5544000    
 H    2.220500      -3.047900      7.8000002E-02
 H    5.139400     -0.1473000      -1.974000    
 H   0.9796000       1.974100     -0.5452000    
 H    3.939100       2.297400       1.851100    
 H   -2.744700      -2.947400       1.265400    
 H   -5.848200     -0.6681000     -0.7941000    
 H   -5.936900      1.4000000E-03  0.8495000    
 H   -7.147200       2.006700     -3.1700000E-02
 H   -7.058400       1.336700      -1.676700    
 H   -7.995900      0.5081000     -0.4284000    


%chk=000095846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095846

0 1
S -4.393399 0.953252 0.737100
O 2.633401 0.925314 0.639883
O 3.489208 -1.999276 1.649493
O 4.027924 -2.018299 -0.948985
O 3.701435 2.539096 -1.480373
N 0.531057 0.131486 1.495439
N -1.471142 0.888155 2.346910
N -0.231803 -0.505820 -0.789147
N -2.626714 -0.086792 -1.107104
C 2.388323 -1.483213 0.845495
C 1.978116 -0.116735 1.448331
C 2.899475 -1.141576 -0.590849
C 3.423367 0.302049 -0.465476
C 3.217708 1.176438 -1.703670
C -0.411648 -0.016692 0.470658
C -0.166842 0.687332 2.585714
C -1.647277 0.452826 1.020194
C -2.778580 0.396900 0.162749
C -1.389500 -0.506086 -1.513614
C -5.440410 0.632367 -0.821072
C -6.890397 1.030833 -0.517925
H 1.546793 -2.200675 0.836052
H 2.350435 -0.057533 2.486135
H 2.064520 -1.211652 -1.309152
H 4.489600 0.292039 -0.168739
H 2.141985 1.169141 -1.980786
H 3.817132 0.783925 -2.542831
H 4.167603 -2.347024 1.002017
H 3.713991 -2.758123 -1.525015
H 0.336844 0.919651 3.522348
H 3.245878 2.887975 -0.671202
H -1.324599 -0.883232 -2.538267
H -4.997883 1.224288 -1.636785
H -5.334590 -0.434884 -1.068540
H -7.311568 0.437627 0.313010
H -6.974398 2.100747 -0.257373
H -7.513845 0.850475 -1.412825


