%chk=000151532.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151532

0 1
 S    5.036500      0.8479000      0.7018000    
 O   -3.995500     -0.8696000     -0.2510000    
 O    5.520300       2.216700      0.5782000    
 O    5.225400      0.1294000       1.954800    
 O   -1.535300      -1.182200      0.5528000    
 O    5.298100      -2.235900      0.2890000    
 N  -0.7510000      0.7261000     -0.5862000    
 N    5.696700     -8.8399999E-02 -0.5738000    
 C    3.332800      0.8125000      0.3230000    
 C   0.6102000      0.7551000     -0.2827000    
 C    2.779500       1.797100     -0.4955000    
 C    2.524900     -0.2008000      0.8386000    
 C    1.418100       1.768600     -0.7982000    
 C    1.163600     -0.2296000      0.5358000    
 C   -1.712100     -0.2031000     -0.1659000    
 C   -3.088200      0.1101000     -0.7120000    
 C    5.757300      -1.518000     -0.5923000    
 C   -5.304200     -0.4837000     -8.5600004E-02
 C    6.447700      -2.069700      -1.806500    
 C   -5.830000      0.5159000     -0.8928000    
 C   -6.080900      -1.098200      0.8871000    
 C   -7.157900      0.9083000     -0.7243000    
 C   -7.408800     -0.7059000       1.055600    
 C   -7.947300      0.2974000      0.2500000    
 H    3.391900       2.591500     -0.9127000    
 H    2.934600     -0.9804000       1.474700    
 H    1.000600       2.541500      -1.438600    
 H   0.6032000      -1.045200      0.9710000    
 H   -1.078000       1.478700      -1.188600    
 H    6.134000      0.4285000      -1.347900    
 H   -3.045600      9.1799997E-02  -1.806700    
 H   -3.343900       1.116400     -0.3553000    
 H   -5.256100      0.9961000      -1.679300    
 H   -5.664500      -1.879500       1.516300    
 H    5.916600      -1.753800      -2.708400    
 H    6.453900      -3.162200      -1.763100    
 H    7.479600      -1.710000      -1.839500    
 H   -7.579500       1.685200      -1.355500    
 H   -8.023600      -1.181700       1.814100    
 H   -8.981600      0.6018000      0.3803000    


%chk=000151532-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151532

0 1
S 4.841623 0.957822 -1.343437
O -3.571616 0.335308 0.032565
O 4.878560 1.193848 -2.953357
O 5.638630 1.933974 -0.334613
O -1.025141 0.581837 2.605759
O 5.182860 -1.077588 1.028330
N -0.998268 0.520504 0.240792
N 5.557826 -0.770668 -1.246806
C 3.053277 0.772736 -0.804891
C 0.380336 0.608199 -0.066765
C 2.092578 0.677196 -1.826099
C 2.740583 0.794152 0.563296
C 0.742191 0.593600 -1.443693
C 1.384689 0.711219 0.937451
C -1.607215 0.510645 1.485644
C -3.138068 0.400111 1.431679
C 5.691110 -1.478579 -0.055313
C -4.957810 0.247633 -0.234964
C 6.497788 -2.771279 -0.175515
C -5.949120 0.201055 0.773209
C -5.311553 0.208128 -1.603983
C -7.309009 0.114773 0.392771
C -6.671111 0.122268 -1.964800
C -7.677705 0.075299 -0.969303
H 2.394735 0.688529 -2.877834
H 3.532117 0.856837 1.314496
H -0.034289 0.521860 -2.214167
H 1.094690 0.720600 1.989388
H -1.662654 0.454176 -0.541465
H 6.010479 -1.038387 -2.129038
H -3.568111 1.284999 1.940227
H -3.440043 -0.511246 1.983752
H -5.686685 0.230406 1.834910
H -4.522827 0.246213 -2.361846
H 6.605969 -3.127594 -1.213465
H 6.005021 -3.549712 0.428764
H 7.504439 -2.600587 0.246752
H -8.079037 0.078871 1.171125
H -6.945120 0.092560 -3.024947
H -8.732620 0.008980 -1.253910


