%chk=000060035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060035

0 1
 S   -1.798900     -0.9571000       1.024000    
 S   -4.630300     -0.2720000      0.4762000    
 O    6.792600     -0.7255000      0.2345000    
 N   -3.560700      -2.778300      3.4100000E-02
 N    1.268800     -0.9305000     -0.3864000    
 N   0.6124000       1.336800     -4.9699999E-02
 C   -4.834300      -3.307300     -0.4602000    
 C   -2.474800      -3.763300      3.1599998E-02
 C   -3.412900      -1.443900      0.4615000    
 C   -1.106400     -0.3946000     -0.5493000    
 C   0.3282000      9.0300001E-02 -0.3169000    
 C   -4.982900      -3.091700      -1.952100    
 C   -2.382500      -4.490900       1.356900    
 C    2.670800     -0.8786000     -0.2292000    
 C  -0.3794000       2.325400      1.4300000E-02
 C    3.356900      -1.981400      0.2795000    
 C    3.369900      0.2756000     -0.5823000    
 C   -2.351500       4.294300      0.1428000    
 C   -1.015900       2.596900       1.225500    
 C  -0.7291000       3.038200      -1.132500    
 C   -2.001900       3.581400       1.289700    
 C   -1.715100       4.022600      -1.068300    
 C    5.441200     -0.7756000      8.2099997E-02
 C    4.742100      -1.930000      0.4351000    
 C    4.755100      0.3272000     -0.4266000    
 C   -3.405700       5.346800      0.2117000    
 C    7.444600      0.4853000     -0.1460000    
 H   -5.669500      -2.832800      6.3500002E-02
 H   -4.898400      -4.376000     -0.2245000    
 H   -1.516100      -3.292400     -0.1962000    
 H   -2.647400      -4.483900     -0.7766000    
 H   -1.728300      0.3881000     -0.9881000    
 H   -1.091200      -1.224000      -1.264300    
 H   -5.940800      -3.491600      -2.299400    
 H   -4.185400      -3.597700      -2.506100    
 H   -4.943600      -2.030600      -2.216100    
 H   -1.568300      -5.221800       1.332300    
 H   -2.194800      -3.802900       2.186700    
 H   -3.310800      -5.027500       1.578600    
 H   0.9145000      -1.882600     -0.4453000    
 H    2.823700      -2.886300      0.5595000    
 H    2.876800       1.139600      -1.016000    
 H  -0.7459000       2.052700       2.126600    
 H  -0.2380000       2.833800      -2.080400    
 H   -2.488600       3.785600       2.239700    
 H   -1.977400       4.572200      -1.968400    
 H    5.271100      -2.791900      0.8323000    
 H    5.236700       1.251200     -0.7280000    
 H   -2.955400       6.314200      0.4548000    
 H   -3.937400       5.436800     -0.7416000    
 H   -4.154500       5.106300      0.9741000    
 H    7.332600      0.6830000      -1.217500    
 H    7.115600       1.330000      0.4686000    
 H    8.514400      0.3496000      4.3699998E-02


%chk=000060035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060035

0 1
S -2.539862 -0.714724 -0.078297
S -1.704432 -2.585646 -2.474801
O 6.159572 -1.533150 -0.880768
N -3.032511 -3.375025 -0.221798
N 0.636333 -0.384834 -1.368543
N 0.322367 1.769179 -0.433388
C -3.069739 -4.765891 -0.762503
C -3.669141 -3.191238 1.114122
C -2.443381 -2.368138 -0.931564
C -1.645489 0.440886 -1.290884
C -0.171241 0.669751 -0.967605
C -1.829122 -5.582482 -0.349262
C -5.169424 -2.842726 1.017022
C 2.032031 -0.581325 -1.204858
C -0.456032 2.812751 0.115606
C 2.572566 -1.809056 -1.689714
C 2.903396 0.358171 -0.596743
C -1.867028 5.034992 1.284108
C -1.444027 2.607534 1.122726
C -0.171080 4.152515 -0.278175
C -2.130420 3.703446 1.691027
C -0.872186 5.233789 0.287778
C 4.806593 -1.149606 -0.953703
C 3.940930 -2.090715 -1.566792
C 4.281928 0.072429 -0.471187
C -2.592870 6.214580 1.908939
C 7.088503 -0.587659 -0.262047
H -3.134865 -4.702719 -1.861361
H -3.995979 -5.235495 -0.382969
H -3.122886 -2.408273 1.668954
H -3.526839 -4.136637 1.668437
H -2.211153 1.381342 -1.226129
H -1.777505 -0.024666 -2.285311
H -1.907299 -6.610273 -0.747232
H -1.731146 -5.646891 0.749676
H -0.914937 -5.120999 -0.758537
H -5.598196 -2.743553 2.030582
H -5.316461 -1.888478 0.483883
H -5.730209 -3.631425 0.484060
H 0.127592 -1.157620 -1.827827
H 1.909978 -2.543670 -2.164234
H 2.487476 1.300208 -0.235477
H -1.641123 1.590993 1.484343
H 0.603456 4.317698 -1.034550
H -2.880493 3.517901 2.470245
H -0.641253 6.254315 -0.043920
H 4.361643 -3.030384 -1.937175
H 4.929131 0.816479 0.003277
H -1.926150 6.788141 2.582219
H -2.958922 6.919023 1.139060
H -3.461249 5.884831 2.505725
H 7.120965 0.370163 -0.818101
H 6.821119 -0.390051 0.794908
H 8.072975 -1.076569 -0.309340


