%chk=000052297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052297

0 1
 S    6.549100      -1.903300      0.2536000    
 O    4.808500       2.988100     -0.1624000    
 N   -6.941000      0.3292000     -0.3157000    
 N    1.735200     -0.6703000     -3.8500000E-02
 N    4.040100      -2.497500      0.1873000    
 C   -3.218000     -0.5610000     -0.2316000    
 C   -4.492600      0.2884000     -0.2625000    
 C   -1.933200      0.2704000     -0.2232000    
 C   -5.773000     -0.5449000     -0.2971000    
 C  -0.6957000     -0.6234000     -0.1185000    
 C   0.5886000      0.1996000     -0.1489000    
 C   -8.099700     -0.3717000     -0.8709000    
 C   -7.239900      0.8173000       1.031400    
 C   -8.485000      -1.562900     -1.0300000E-02
 C   -8.414600       1.780700       1.018300    
 C    3.044800     -0.2175000     -1.3300000E-02
 C    4.128400      -1.116100      9.4999999E-02
 C    3.288900       1.156200     -9.8499998E-02
 C    5.428100     -0.6007000      0.1146000    
 C    4.590400       1.645300     -7.7500001E-02
 C    5.680600      0.7779000      2.9300001E-02
 C    5.245100      -3.010200      0.2749000    
 C    6.165000       3.426500     -0.1355000    
 H   -3.240600      -1.201600      0.6589000    
 H   -3.209000      -1.229000      -1.101900    
 H   -4.461000      0.9433000      -1.143100    
 H   -4.474200      0.9431000      0.6156000    
 H   -1.882400      0.8713000      -1.139100    
 H   -1.953200      0.9690000      0.6219000    
 H   -5.732500      -1.154000      -1.209900    
 H   -5.780800      -1.240400      0.5517000    
 H  -0.6899000      -1.345000     -0.9453000    
 H  -0.7395000      -1.207900      0.8092000    
 H   0.6290000      0.7634000      -1.088600    
 H   0.5700000      0.9115000      0.6852000    
 H   -7.859400     -0.7231000      -1.883000    
 H   -8.956000      0.2959000      -1.013700    
 H   -6.386700       1.394500       1.405300    
 H   -7.401500      2.3700001E-02   1.769600    
 H    1.587600      -1.671900      2.3300000E-02
 H   -7.676900      -2.287300      0.1238000    
 H   -8.877500      -1.280300      0.9704000    
 H   -9.296100      -2.105500     -0.5113000    
 H   -8.468100       2.306100       1.978600    
 H   -9.374500       1.272600      0.8860000    
 H   -8.305800       2.541900      0.2380000    
 H    2.483200       1.880500     -0.1844000    
 H    6.713900       1.103000      5.0600000E-02
 H    5.410500      -4.075700      0.3563000    
 H    6.650000       3.180800      0.8155000    
 H    6.727000       3.053800     -0.9986000    
 H    6.152400       4.518800     -0.2125000    


%chk=000052297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052297

0 1
S 6.655779 -2.056980 0.095854
O 4.975784 3.050278 -0.179193
N -7.038391 0.206088 -0.226302
N 1.821367 -0.612690 0.005686
N 4.003613 -2.464888 0.111609
C -3.229978 -0.614280 -0.074050
C -4.512027 0.247570 -0.121476
C -1.937103 0.231992 -0.071666
C -5.799498 -0.607541 -0.131919
C -0.653235 -0.625612 -0.032596
C 0.626669 0.232294 -0.043907
C -8.151602 -0.482055 -0.928841
C -7.410078 0.842963 1.062049
C -8.781199 -1.707101 -0.206670
C -8.484655 1.937278 0.917277
C 3.114164 -0.130429 -0.014593
C 4.195486 -1.074593 0.037990
C 3.449597 1.242681 -0.085497
C 5.543926 -0.623576 0.016999
C 4.808549 1.657008 -0.105265
C 5.891254 0.741764 -0.054979
C 5.145392 -3.115181 0.148688
C 6.342960 3.570853 -0.214402
H -3.248200 -1.258814 0.829908
H -3.215445 -1.301210 -0.946275
H -4.512081 0.884245 -1.027362
H -4.517327 0.935701 0.747592
H -1.922657 0.877459 -0.974061
H -1.950042 0.916191 0.801960
H -5.765425 -1.273755 -1.016774
H -5.799185 -1.276729 0.767189
H -0.640741 -1.311730 -0.904044
H -0.660783 -1.260096 0.877434
H 0.641594 0.861885 -0.960283
H 0.613321 0.929633 0.822330
H -7.765318 -0.803509 -1.915502
H -8.942991 0.261785 -1.137221
H -6.495206 1.308133 1.473262
H -7.745752 0.090697 1.822200
H 1.718877 -1.628471 0.058269
H -8.027927 -2.492980 -0.013966
H -9.234043 -1.422559 0.760721
H -9.578525 -2.148539 -0.833559
H -8.617174 2.469002 1.877573
H -9.468024 1.523504 0.630197
H -8.179307 2.669507 0.148864
H 2.680478 2.017169 -0.127725
H 6.931941 1.068865 -0.070336
H 5.255809 -4.197374 0.206695
H 6.900028 3.303774 0.704866
H 6.892259 3.200343 -1.101872
H 6.233169 4.663626 -0.276374


