%chk=000068848.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068848

0 1
 S   -4.518600     -0.1004000      0.1189000    
 O   -4.941700     -0.7422000       1.350400    
 O   -4.937700       1.259800     -0.1682000    
 N  -0.8410000       2.114200      0.2330000    
 N   -2.810000     -0.1722000      5.0099999E-02
 N    4.814900      0.2295000     -0.6203000    
 N   -4.968600      -1.115500      -1.213600    
 C   0.2580000     -0.1496000      0.2794000    
 C   0.4656000       1.425700      0.3774000    
 C  -0.7547000     -0.6182000       1.336400    
 C   -2.048300      0.1885000       1.277400    
 C    1.538400       1.950100     -0.6535000    
 C   -1.777900       1.692500       1.291200    
 C    1.587200     -0.8828000      0.3588000    
 C    2.717000     -0.1914000     -9.6299998E-02
 C    2.780300       1.129100     -0.5830000    
 C    3.981700     -0.7482000     -0.1216000    
 C  -0.7228000       3.575100      0.2575000    
 C    1.799600      -2.206400      0.7662000    
 C    4.094800       1.371500     -0.9062000    
 C    4.207300      -2.056600      0.3035000    
 C    3.084100      -2.773900      0.7451000    
 C    6.240500      9.2100002E-02 -0.8247000    
 C   -4.486800     -0.6968000      -2.559000    
 C   -4.761600      -2.573800     -0.9988000    
 H  -0.1480000     -0.3743000     -0.7175000    
 H   0.8679000       1.641600       1.380600    
 H  -0.9872000      -1.681700       1.201600    
 H  -0.3127000     -0.5144000       2.336400    
 H   -2.641000     -7.9999998E-02   2.159200    
 H    1.797700       2.993000     -0.4398000    
 H    1.132800       1.900100      -1.671600    
 H   -2.730100       2.223900       1.172000    
 H   -1.381500       1.975300       2.276100    
 H   -2.384600      0.2182000     -0.8016000    
 H   -1.712600       4.045400      0.2232000    
 H  -0.1959000       3.946200     -0.6270000    
 H  -0.2066000       3.931900       1.155700    
 H   0.9704000      -2.821900       1.103400    
 H    4.579200       2.250600      -1.309500    
 H    5.192700      -2.507800      0.2891000    
 H    3.212300      -3.802700       1.074900    
 H    6.706600     -0.1294000      0.1387000    
 H    6.409700     -0.7227000      -1.533200    
 H    6.645500       1.024000      -1.227100    
 H   -4.648200      0.3746000      -2.706000    
 H   -5.058700      -1.221300      -3.331100    
 H   -3.425300     -0.9280000      -2.684600    
 H   -5.293300      -2.904700     -0.1025000    
 H   -3.696800      -2.805500     -0.9045000    
 H   -5.170900      -3.136500      -1.844000    


%chk=000068848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068848

0 1
S -4.515766 0.320782 -0.361807
O -5.078847 0.218406 1.159593
O -4.799113 1.608741 -1.306782
N -0.798547 2.068090 0.387540
N -2.641837 0.016625 -0.328382
N 4.957214 0.306350 -0.521767
N -5.224368 -1.158697 -1.267131
C 0.313218 -0.162246 0.175901
C 0.526965 1.372549 0.468120
C -0.780972 -0.767139 1.084990
C -2.071184 0.080794 1.055544
C 1.570961 2.017423 -0.498453
C -1.730639 1.542071 1.420050
C 1.638008 -0.921614 0.251711
C 2.783197 -0.178066 -0.102861
C 2.844431 1.206748 -0.474265
C 4.097063 -0.730733 -0.131375
C -0.741376 3.548086 0.404475
C 1.845588 -2.272642 0.595875
C 4.188154 1.480644 -0.722991
C 4.305664 -2.090106 0.203928
C 3.161409 -2.836750 0.567118
C 6.406543 0.189240 -0.683929
C -4.757128 -1.176915 -2.675608
C -4.960598 -2.402718 -0.503909
H -0.053629 -0.220429 -0.872633
H 0.935892 1.458874 1.510271
H -1.014230 -1.797859 0.763680
H -0.416324 -0.813719 2.131051
H -2.818708 -0.324392 1.761188
H 1.767638 3.063405 -0.202761
H 1.128373 2.043742 -1.516361
H -2.651210 2.152854 1.419548
H -1.289480 1.585110 2.446181
H -2.247949 0.825450 -0.869182
H -1.772691 3.940423 0.382792
H -0.223615 3.929364 -0.490011
H -0.231646 3.958895 1.309363
H 1.006592 -2.913596 0.887740
H 4.677643 2.406089 -1.023586
H 5.296681 -2.556290 0.191391
H 3.285387 -3.892164 0.836497
H 6.889079 -0.117552 0.262924
H 6.661862 -0.551709 -1.464551
H 6.822194 1.164516 -0.983700
H -4.883154 -0.170992 -3.108118
H -5.416400 -1.873549 -3.224151
H -3.702704 -1.508598 -2.787050
H -5.263142 -2.251680 0.544964
H -3.900076 -2.732183 -0.550840
H -5.603323 -3.188930 -0.939230


