%chk=000133957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133957

0 1
 S   0.5576000      -1.576300      0.2908000    
 S    3.833200       2.119800     -1.4800000E-02
 O   -5.342900       2.069100     -4.9100000E-02
 O   -6.575900      0.5358000      -1.038700    
 N   -2.571100      -1.107800      0.3149000    
 N    3.644800     -0.3409000     -0.7844000    
 N    6.373900     -7.3700003E-02   1.005300    
 N   -4.158700      0.1400000       1.638700    
 N   -5.501900      0.9658000     -0.5924000    
 C   -1.962200      -1.629400     -0.8865000    
 C  -0.7552000      -2.501400     -0.5639000    
 C    1.226800     -0.6966000      -1.138600    
 C    2.368400      0.1862000     -0.7533000    
 C    4.497400      0.5887000     -0.4143000    
 C    5.961000      0.3942000     -0.3247000    
 C    2.270200       1.504700     -0.3613000    
 C   -3.695700     -0.2832000      0.3876000    
 C   -4.362900      0.1275000     -0.7127000    
 C    7.812800     -0.2636000       1.053500    
 C   -3.619500     -0.1589000       2.943800    
 H   -2.694200      -2.248300      -1.419600    
 H   -1.684800     -0.8117000      -1.560500    
 H   -1.057700      -3.320600      9.7900003E-02
 H  -0.3511000      -2.955300      -1.474600    
 H   0.4453000     -8.7200001E-02  -1.602700    
 H    1.568600      -1.425100      -1.881900    
 H   -2.147600      -1.345400       1.206000    
 H    6.488300       1.322200     -0.5809000    
 H    6.252600     -0.3510000      -1.076000    
 H    1.386200       2.119100     -0.2636000    
 H    6.107000      0.6208000       1.703300    
 H   -4.982900      0.7321000       1.645300    
 H   -4.168900     -0.1498000      -1.739000    
 H    8.139200      -1.019800      0.3322000    
 H    8.101200     -0.6156000       2.048900    
 H    8.350800      0.6705000      0.8605000    
 H   -3.637100      -1.236500       3.133000    
 H   -4.219300      0.3317000       3.716500    
 H   -2.590900      0.2040000       3.030500    


%chk=000133957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133957

0 1
S 0.499866 -1.375498 0.518165
S 4.202182 2.161623 0.557625
O -6.457143 0.791953 0.222420
O -6.591878 0.235572 -2.003182
N -2.604477 -0.971366 0.291693
N 3.537351 -0.124305 -0.653411
N 6.685597 -0.116398 0.920121
N -4.271123 0.179304 1.504228
N -5.930569 0.247804 -0.882069
C -2.007331 -1.573022 -0.904324
C -0.740017 -2.361324 -0.525153
C 1.032794 -0.066548 -0.783664
C 2.333176 0.556020 -0.381459
C 4.604076 0.530742 -0.247646
C 6.035773 0.095365 -0.391768
C 2.482238 1.777425 0.260520
C -3.843193 -0.361923 0.322524
C -4.647550 -0.314812 -0.847332
C 8.094068 -0.540513 0.822381
C -3.536148 0.111289 2.764332
H -2.727670 -2.273427 -1.370327
H -1.766006 -0.800552 -1.666051
H -0.990217 -3.230463 0.106710
H -0.222449 -2.717501 -1.431155
H 0.232164 0.683589 -0.867842
H 1.149799 -0.611212 -1.734813
H -1.934614 -0.790741 1.049505
H 6.583524 0.834249 -1.032605
H 6.023708 -0.863707 -0.941316
H 1.705428 2.471683 0.574335
H 6.549303 0.678870 1.557431
H -5.226695 0.596591 1.412310
H -4.309975 -0.704755 -1.802825
H 8.148594 -1.529920 0.331638
H 8.515009 -0.648468 1.836769
H 8.747138 0.158845 0.244214
H -3.292563 -0.932832 3.046272
H -4.165419 0.538434 3.560449
H -2.591951 0.694028 2.738500


