%chk=000026560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026560

1 1
 S    1.666300       1.127600       1.177900    
 O  -0.2363000      -2.245700     -0.1690000    
 O    1.519800      -2.169600      -1.662700    
 N   -4.362300      -1.405800      0.6157000    
 C   -2.931800      -1.269100      0.1148000    
 C   -2.561200      -2.510500     -0.6783000    
 C   -5.306800      -1.521600     -0.5720000    
 C   -4.479800      -2.652400       1.480800    
 C   -4.731000     -0.1801000       1.439200    
 C   -1.152000      -2.407700      -1.243400    
 C    1.084900      -2.137400     -0.5195000    
 C    1.917500      -1.973600      0.7298000    
 C    3.149900      -1.135000      0.5094000    
 C    3.143400      0.2492000      0.6820000    
 C    4.322400      -1.783800      0.1218000    
 C    4.309300      0.9843000      0.4672000    
 C    1.427600       2.255300     -0.2225000    
 C    5.488200      -1.048500     -9.3099996E-02
 C    5.481500      0.3355000      7.9400003E-02
 C   1.6799999E-02   2.770200     -0.3021000    
 C  -0.3355000       3.944700      0.3629000    
 C  -0.9394000       2.073700      -1.041400    
 C   -1.643900       4.422600      0.2889000    
 C   -2.247700       2.551800      -1.115500    
 C   -2.600000       3.726200     -0.4502000    
 H   -2.883300     -0.3691000     -0.5063000    
 H   -2.286900      -1.132200      0.9906000    
 H   -3.227100      -2.683300      -1.527200    
 H   -2.576900      -3.401200     -4.2500000E-02
 H   -6.330500      -1.409400     -0.1999000    
 H   -5.215800      -2.506000      -1.036800    
 H   -5.080900     -0.7207000      -1.282200    
 H   -4.448800      -3.550400      0.8589000    
 H   -5.448500      -2.618300       1.990200    
 H   -3.672400      -2.646900       2.219000    
 H   -4.043700     -0.1147000       2.287900    
 H   -4.638400      0.7042000      0.8017000    
 H   -5.761000     -0.2903000       1.790900    
 H   -1.079500      -1.551000      -1.923900    
 H  -0.9104000      -3.323200      -1.795900    
 H    1.307700      -1.572600       1.546000    
 H    2.205200      -2.981000       1.058100    
 H    4.343600      -2.861300     -1.9200001E-02
 H    4.332400       2.063000      0.6012000    
 H    2.128800       3.093300     -0.1376000    
 H    1.674200       1.737800      -1.157600    
 H    6.401000      -1.553600     -0.3952000    
 H    6.389600      0.9075000     -8.6800002E-02
 H   0.3998000       4.496200      0.9428000    
 H  -0.6783000       1.156400      -1.562600    
 H   -1.918400       5.336700      0.8072000    
 H   -2.992700       2.009500      -1.690500    
 H   -3.618900       4.097700     -0.5074000    


%chk=000026560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026560

1 1
S 0.770672 0.376423 1.059584
O -0.241366 -2.875136 -0.846807
O 1.013669 -1.225284 -1.935643
N -3.581035 -0.897334 0.895368
C -2.509601 -1.158556 -0.192718
C -2.644843 -2.476712 -0.969710
C -4.981086 -0.918164 0.293527
C -3.482128 -1.929966 2.014518
C -3.307255 0.491279 1.481906
C -1.364802 -2.699522 -1.800606
C 0.909033 -2.064118 -1.017803
C 1.942150 -2.472366 0.021982
C 2.937480 -1.405276 0.449816
C 2.548721 -0.148561 0.992418
C 4.323670 -1.700736 0.392257
C 3.515492 0.763459 1.474705
C 0.821923 1.618723 -0.429671
C 5.294326 -0.787730 0.857811
C 4.890403 0.448607 1.407858
C -0.532896 2.238530 -0.657179
C -1.049442 3.216818 0.235197
C -1.301953 1.879154 -1.796379
C -2.303888 3.821544 -0.004345
C -2.556794 2.487108 -2.041457
C -3.063517 3.457750 -1.143661
H -2.559547 -0.291005 -0.874003
H -1.535806 -1.119878 0.328400
H -3.505611 -2.463294 -1.663799
H -2.761195 -3.343830 -0.294634
H -5.710303 -0.648918 1.073362
H -5.202755 -1.925454 -0.087388
H -5.025517 -0.186711 -0.527918
H -3.729775 -2.926928 1.624059
H -4.191813 -1.659550 2.811632
H -2.454875 -1.927509 2.408934
H -2.284945 0.509259 1.889358
H -3.392862 1.246040 0.685199
H -4.040919 0.692915 2.277937
H -1.140426 -1.855213 -2.477511
H -1.440960 -3.629737 -2.386758
H 1.391801 -2.872617 0.892444
H 2.493125 -3.331803 -0.407611
H 4.645263 -2.662284 -0.024605
H 3.188779 1.712389 1.913279
H 1.581449 2.363953 -0.145726
H 1.170318 1.028819 -1.291306
H 6.357030 -1.043485 0.796829
H 5.632919 1.159134 1.784851
H -0.454839 3.519219 1.105428
H -0.890808 1.153833 -2.509691
H -2.676481 4.594039 0.677283
H -3.118326 2.234874 -2.948349
H -4.020054 3.951211 -1.347666


