%chk=000039640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039640

0 1
 S    4.018100      -1.664800       1.552000    
 O   -3.630400      -2.545200     -0.6486000    
 O   -5.195900     -0.9901000      0.3140000    
 O    2.128600      0.5447000       1.521500    
 N   -1.556000       2.297000      0.7115000    
 C    1.267900      0.3906000     -0.6884000    
 C  -2.6500000E-02  0.9360000     -0.1729000    
 C    2.017500       1.328900      -1.643100    
 C  -0.2346000       2.195100      0.3629000    
 C    2.568100       2.630600      -1.048200    
 C   0.7155000       3.319000      0.5867000    
 C    1.509600       3.668900     -0.6692000    
 C   -1.289300      0.2512000     -0.1364000    
 C   -2.225800       1.132500      0.4221000    
 C    2.147300     -4.6300001E-02  0.4443000    
 C   -1.713600      -1.040700     -0.5284000    
 C   -3.576400      0.8059000      0.6160000    
 C   -3.048600      -1.354200     -0.3328000    
 C   -3.941000     -0.4668000      0.2162000    
 C    3.051900      -1.214700      0.2502000    
 C   -4.990700      -2.306100     -0.2367000    
 C    3.180200      -1.952800     -0.8595000    
 C    4.145000      -2.980100     -0.6511000    
 C    4.679300      -2.938600      0.6179000    
 H   0.9989000     -0.4963000      -1.273800    
 H    1.364900       1.578300      -2.490400    
 H    2.870000      0.7853000      -2.070700    
 H    3.213600       3.087200      -1.810100    
 H    3.218800       2.421800     -0.1915000    
 H   0.1582000       4.212200      0.8974000    
 H    1.393200       3.078300       1.413200    
 H   0.8354000       3.843300      -1.517100    
 H    2.028100       4.618100     -0.4829000    
 H   -1.981900       3.113200       1.128400    
 H   -1.026800      -1.759200     -0.9623000    
 H   -4.280700       1.504800       1.050000    
 H   -5.647700      -2.429800      -1.105200    
 H   -5.264300      -3.050100      0.5203000    
 H    2.653200      -1.817500      -1.793900    
 H    4.433900      -3.711700      -1.394500    
 H    5.426500      -3.595100       1.041000    


%chk=000039640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039640

0 1
S 4.166158 -1.708783 1.568113
O -3.687518 -2.563760 -0.792675
O -5.278553 -1.052411 0.154339
O 2.254235 0.633234 1.542921
N -1.625157 2.372896 0.682855
C 1.264942 0.433920 -0.703603
C -0.045551 1.003334 -0.215063
C 2.079322 1.400346 -1.636569
C -0.266365 2.271605 0.333176
C 2.630589 2.700161 -0.999457
C 0.686492 3.408666 0.593062
C 1.578404 3.772555 -0.622445
C -1.311180 0.293789 -0.195474
C -2.293481 1.185404 0.373353
C 2.180608 -0.022735 0.458200
C -1.698289 -1.019280 -0.608071
C -3.658652 0.839706 0.554804
C -3.036744 -1.348135 -0.418779
C -3.986891 -0.450901 0.143560
C 3.020960 -1.214398 0.245487
C -5.016673 -2.482381 -0.145283
C 3.118522 -2.087853 -0.842473
C 4.077464 -3.139809 -0.661400
C 4.720571 -3.079273 0.570564
H 1.030641 -0.453814 -1.321463
H 1.417379 1.662747 -2.485351
H 2.933534 0.830888 -2.055468
H 3.331140 3.150314 -1.731597
H 3.233892 2.455794 -0.103231
H 0.112396 4.307014 0.897920
H 1.342559 3.138703 1.443934
H 0.937235 3.989302 -1.500636
H 2.118026 4.709640 -0.378821
H -2.049497 3.197927 1.101452
H -0.993061 -1.733289 -1.041567
H -4.401341 1.518148 0.981618
H -5.781780 -2.847252 -0.846059
H -4.992597 -3.049609 0.806913
H 2.517506 -1.979084 -1.748650
H 4.282187 -3.911055 -1.407415
H 5.482068 -3.749472 0.967178


