%chk=000015840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015840

1 1
 S   9.2000000E-02   1.617200      0.7685000    
 P   -1.763600       1.062900     -2.8300000E-02
 O   -2.252800     -0.3772000      0.5362000    
 O   -1.726000       1.085600      -1.533500    
 N    3.643000     -0.3580000     -3.7000000E-02
 C    2.690900      0.6649000      0.5656000    
 C    3.544600     -0.3102000      -1.555000    
 C    5.068200     -3.7099998E-02  0.3893000    
 C    3.268400      -1.749700      0.4519000    
 C    1.270700      0.4122000      8.6700000E-02
 C   -3.520700     -0.9043000      0.1894000    
 C   -2.997900       2.204900      0.5942000    
 C   -3.607700      -1.069800      -1.319200    
 C   -3.709100      -2.241600      0.8914000    
 H    2.771700      0.5868000       1.656700    
 H    3.042600       1.657400      0.2575000    
 H    3.634500      0.7300000      -1.881800    
 H    4.370100     -0.9014000      -1.965000    
 H    2.602500     -0.7549000      -1.885800    
 H    5.116800     -6.7500003E-02   1.481900    
 H    5.739800     -0.7849000     -4.2800002E-02
 H    5.323000      0.9612000      2.1199999E-02
 H    3.202400      -1.732700       1.543600    
 H    2.323300      -2.064600      3.5000001E-03
 H    4.055900      -2.441800      0.1362000    
 H    1.176300      0.5009000     -0.9974000    
 H   0.9000000     -0.5702000      0.3864000    
 H   -4.305400     -0.2256000      0.5376000    
 H   -3.975300       2.014900      0.1434000    
 H   -3.090500       2.117200       1.680300    
 H   -2.713900       3.233600      0.3539000    
 H   -4.449900      -1.713400      -1.595700    
 H   -3.783500     -0.1099000      -1.812800    
 H   -2.690500      -1.502900      -1.732100    
 H   -4.688800      -2.676300      0.6708000    
 H   -3.619200      -2.117400       1.976000    
 H   -2.932200      -2.953700      0.5916000    


%chk=000015840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015840

1 1
S -0.028137 -0.484512 2.290929
P -1.286330 0.798394 0.744537
O -2.851296 0.126311 0.550446
O -0.390792 0.931451 -0.589319
N 3.157386 -0.118868 -0.491138
C 2.243598 0.079238 0.755684
C 2.303606 -0.341613 -1.748047
C 3.965309 1.165881 -0.671465
C 4.109458 -1.290606 -0.286357
C 1.249311 -1.060280 1.012293
C -3.151887 -0.966147 -0.459702
C -1.720387 2.342718 1.669799
C -2.728204 -2.326759 0.105349
C -4.656709 -0.838405 -0.702844
H 2.914926 0.226318 1.619831
H 1.686347 1.006719 0.549600
H 1.420226 0.317328 -1.698536
H 2.922796 -0.124090 -2.631837
H 1.976244 -1.390959 -1.782644
H 4.502484 1.391709 0.262596
H 4.685377 1.027718 -1.492739
H 3.274363 1.986806 -0.915516
H 4.758832 -1.083222 0.578200
H 3.526563 -2.205395 -0.105515
H 4.721519 -1.418370 -1.192603
H 0.698030 -1.334326 0.100501
H 1.707054 -1.956840 1.460212
H -2.584165 -0.720512 -1.378834
H -2.320424 2.988275 1.009474
H -2.310610 2.072480 2.558562
H -0.796715 2.855971 1.974846
H -3.004641 -3.124447 -0.607568
H -1.638286 -2.383693 0.278070
H -3.238912 -2.525548 1.062827
H -4.976395 -1.584210 -1.452786
H -4.912713 0.165631 -1.078981
H -5.217126 -1.019546 0.230079


