%chk=000148871.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148871

0 1
 S    5.011500     -0.4867000      -1.416500    
 O   0.9719000     -0.9305000       2.935700    
 O    6.154700      -1.118900      -2.048100    
 O    4.198800      0.4653000      -2.147500    
 N   -1.093800     -0.2959000       1.132600    
 N    4.033600      -1.714100     -0.7070000    
 N   -4.601900      0.7581000     -0.9045000    
 C   -2.283400      6.1700001E-02  0.4419000    
 C   -2.530000       1.403600      0.1345000    
 C   -3.197200     -0.9316000      7.5300001E-02
 C    5.613400      0.3218000      4.9300000E-02
 C   0.1861000     -0.6494000      0.6857000    
 C   -3.718400       1.710900     -0.5492000    
 C   -4.359500     -0.5329000     -0.6062000    
 C    2.734900      -1.353900     -0.2361000    
 C    6.531200       1.482700     -0.2963000    
 C    1.205500     -0.9637000       1.593000    
 C    2.475100      -1.314600       1.133700    
 C   0.4557000     -0.6916000     -0.6876000    
 C    1.725200      -1.042400      -1.146800    
 C   -1.629200       2.422300      0.4907000    
 C   -2.974800      -2.287800      0.3712000    
 C   -3.969700       3.045200     -0.8580000    
 C   -5.273000      -1.517100     -0.9738000    
 C    7.062500       2.162700      0.9544000    
 C   -1.903800       3.748500      0.1702000    
 C   -3.903800      -3.252300     -7.4000000E-03
 C   -3.076700       4.060200     -0.5056000    
 C   -5.055300      -2.865700     -0.6813000    
 C    1.210300      0.3063000       3.603700    
 H    6.142900     -0.4285000      0.6451000    
 H    4.747200      0.6840000      0.6109000    
 H   -1.217300     -0.3234000       2.140500    
 H    7.375900       1.129700     -0.8993000    
 H    5.995100       2.218900     -0.9064000    
 H    4.534000      -2.368500     -9.0400003E-02
 H    3.259800      -1.556500       1.846900    
 H  -0.3108000     -0.4570000      -1.421700    
 H    1.908400      -1.081400      -2.217400    
 H  -0.7050000       2.214200       1.023500    
 H   -2.087400      -2.624000      0.9011000    
 H   -4.881900       3.315100      -1.387000    
 H   -6.183000      -1.239500      -1.502700    
 H    7.719900       2.994800      0.6835000    
 H    6.243800       2.560600       1.562400    
 H    7.637300       1.461600       1.568000    
 H   -1.207000       4.533600      0.4472000    
 H   -3.730400      -4.298900      0.2233000    
 H   -3.300800       5.091800     -0.7604000    
 H   -5.786900      -3.610400     -0.9810000    
 H   0.5885000       1.102900       3.183400    
 H    2.267700      0.5804000       3.533500    
 H   0.9511000      0.1812000       4.658500    


%chk=000148871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148871

0 1
S 5.430684 -0.170327 -1.185599
O 0.686042 -1.476244 2.708727
O 6.949525 -0.709932 -1.438760
O 4.644680 0.691494 -2.325134
N -1.006397 -0.528730 0.947913
N 4.215200 -1.851842 -0.805654
N -4.517650 1.027567 -1.002588
C -2.129821 -0.004450 0.261512
C -2.086374 1.229877 -0.462823
C -3.374950 -0.706176 0.373075
C 5.475270 0.966683 0.419174
C 0.279522 -0.797573 0.464873
C -3.318244 1.682791 -1.107617
C -4.552759 -0.125704 -0.263318
C 2.937167 -1.499071 -0.332432
C 5.972431 2.364446 0.044805
C 1.224453 -1.319986 1.415543
C 2.535342 -1.635240 1.038269
C 0.692353 -0.656799 -0.887657
C 1.994521 -1.001980 -1.280795
C -0.924633 2.075947 -0.537510
C -3.513377 -1.963345 1.059391
C -3.298353 2.906025 -1.867249
C -5.818196 -0.798751 -0.132705
C 5.958727 3.297859 1.280004
C -0.950914 3.263641 -1.263420
C -4.754420 -2.588879 1.160642
C -2.143182 3.675246 -1.952309
C -5.921454 -1.995112 0.569936
C 1.551909 -2.036374 3.748208
H 6.149141 0.412267 1.093395
H 4.433748 0.955282 0.783214
H -1.169787 -0.892621 1.892581
H 6.997075 2.296977 -0.365531
H 5.327516 2.778331 -0.751781
H 4.800754 -2.330622 -0.089284
H 3.253901 -2.015548 1.773243
H -0.019643 -0.294604 -1.633508
H 2.311014 -0.907834 -2.322785
H -0.011612 1.784115 -0.011841
H -2.628702 -2.453218 1.481196
H -4.232777 3.200927 -2.354074
H -6.681620 -0.329089 -0.613511
H 6.321182 4.302718 0.998443
H 4.938038 3.408667 1.690723
H 6.613297 2.916182 2.085112
H -0.056176 3.893760 -1.309362
H -4.841872 -3.549289 1.680255
H -2.139685 4.605539 -2.530557
H -6.889513 -2.499365 0.662077
H 2.423825 -1.379775 3.931706
H 1.897385 -3.051139 3.472797
H 0.928408 -2.085818 4.652488


