%chk=000135682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135682

0 1
 S   -1.498200      0.9867000      -1.914100    
 O   -2.556300       1.961200      -2.128500    
 O  -0.6250000      0.6175000      -3.016700    
 N   -2.179200     -0.4315000      -1.251200    
 N    1.021500     -0.2573000     -0.9220000    
 N   -4.853700      -1.342100       1.210600    
 N    3.430900       1.132100       2.213400    
 C  -0.4783000       1.554100     -0.6033000    
 C   0.6772000      0.8604000     -0.2536000    
 C    1.454800       1.362400      0.8036000    
 C   -2.990000     -0.3555000     -2.7600000E-02
 C    2.614100      0.6612000       1.150100    
 C   -4.080600      -1.416500     -2.2399999E-02
 C    2.976400     -0.4998000      0.4595000    
 C    2.139300     -0.9289000     -0.5842000    
 C  -0.8669000       2.716600      6.7100003E-02
 C    1.066600       2.531800       1.480600    
 C  -9.3099996E-02   3.206800       1.111400    
 C    4.135800      -1.224400      0.7866000    
 C    2.494600      -2.084200      -1.275600    
 C   -3.985300      -1.520800       2.375900    
 C   -5.919000      -2.346800       1.213600    
 C    4.468600      -2.376200      7.9999998E-02
 C    3.646100      -2.806700     -0.9531000    
 H   -2.282300     -0.4911000      0.7958000    
 H   -3.442000      0.6383000      6.6600002E-02
 H   -1.701300      -1.325600      -1.419800    
 H   -4.737100      -1.247300     -0.8858000    
 H   -3.634000      -2.411100     -0.1563000    
 H   -1.768900       3.259000     -0.1995000    
 H    1.630900       2.959500       2.302300    
 H  -0.3915000       4.109100       1.636300    
 H    4.814000     -0.9357000       1.582400    
 H    1.865900      -2.441600      -2.089100    
 H    3.199200       1.966000       2.730600    
 H    4.273400      0.6510000       2.487900    
 H   -3.344300      -2.405900       2.291200    
 H   -3.366200     -0.6383000       2.563800    
 H   -4.587900      -1.635800       3.285500    
 H   -6.538300      -2.249800       2.112300    
 H   -6.587000      -2.201500      0.3573000    
 H   -5.523900      -3.368400       1.174100    
 H    5.364400      -2.934500      0.3341000    
 H    3.896600      -3.704200      -1.510900    


%chk=000135682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135682

0 1
S -1.714928 1.422210 -1.717382
O -3.007462 2.388204 -1.479619
O -1.024403 1.322147 -3.176905
N -2.182914 -0.285788 -1.205117
N 0.695283 -0.123484 -0.575112
N -4.694411 -1.903134 1.101026
N 3.858284 1.364364 1.886316
C -0.402617 2.030240 -0.462767
C 0.690866 1.165645 -0.115268
C 1.723392 1.730407 0.743132
C -3.096530 -0.342890 -0.035903
C 2.843514 0.890092 1.082669
C -3.789800 -1.726679 -0.058017
C 2.880712 -0.456931 0.572539
C 1.769620 -0.913921 -0.246416
C -0.540987 3.325038 0.005137
C 1.576622 3.079477 1.210535
C 0.471067 3.856662 0.868150
C 3.956036 -1.369942 0.842966
C 1.785195 -2.260975 -0.747592
C -3.984837 -2.250842 2.347626
C -5.807409 -2.833245 0.822708
C 3.941861 -2.670387 0.341581
C 2.842891 -3.119791 -0.462427
H -2.572409 -0.179237 0.930683
H -3.864628 0.440552 -0.146515
H -1.244474 -0.725094 -1.055329
H -4.379850 -1.784360 -0.989024
H -3.016842 -2.536259 -0.112846
H -1.416963 3.914496 -0.287292
H 2.336042 3.530235 1.860942
H 0.376110 4.879489 1.245095
H 4.817374 -1.060580 1.447724
H 0.943168 -2.572668 -1.373118
H 3.855634 2.318237 2.234008
H 4.645999 0.776038 2.139790
H -3.483214 -3.252469 2.302101
H -3.213946 -1.494559 2.575514
H -4.699925 -2.264900 3.189783
H -6.499877 -2.847470 1.684141
H -6.371576 -2.486926 -0.060790
H -5.475455 -3.886293 0.633133
H 4.772107 -3.351154 0.556269
H 2.843683 -4.141354 -0.857231


