%chk=000056114.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056114

0 1
 S   -5.316200       1.273800     -0.3220000    
 O    1.835200     -0.7960000       2.031500    
 O    1.335100      -3.336700      0.5530000    
 O   -5.564100       1.064700      -1.736300    
 O   -6.190300      0.6751000      0.6695000    
 N    5.234800       1.591700     -0.1261000    
 N    1.652200      0.5014000      0.1165000    
 N   -3.506900     -0.6909000     -0.1693000    
 N   -5.184300       2.959700     -1.4500000E-02
 C    4.052800      0.7276000     -0.2512000    
 C    3.922400      0.5545000      -1.765800    
 C    5.326500      0.7737000      -2.318400    
 C    6.191400       1.066500      -1.103500    
 C    2.794400       1.331500      0.3592000    
 C    5.799000       1.607400       1.218100    
 C    7.039600       2.473400       1.289000    
 C    1.257000     -0.5123000      0.9856000    
 C   6.5899998E-02  -1.301200      0.5779000    
 C   -1.152200     -0.6464000      0.3945000    
 C   0.1542000      -2.679000      0.3784000    
 C   -2.281900      -1.369900      1.1900000E-02
 C   -2.193600      -2.747600     -0.1878000    
 C  -0.9755000      -3.402100     -4.6999999E-03
 C   -3.644100      0.7234000      2.4200000E-02
 C   -3.387500      -3.546600     -0.5983000    
 C   -5.233500       3.416400       1.396900    
 C   -4.215800       3.741700     -0.8228000    
 C    2.185600      -3.453700     -0.5855000    
 H    4.249000     -0.2594000      0.1928000    
 H    3.550300     -0.4430000      -2.022800    
 H    3.240400       1.288600      -2.212000    
 H    5.687700     -0.1017000      -2.867700    
 H    5.323600       1.625700      -3.008400    
 H    6.663400      0.1386000     -0.7554000    
 H    6.975400       1.785700      -1.360900    
 H    2.577600       2.314800     -7.4000001E-02
 H    2.907900       1.464400       1.440300    
 H    6.040800      0.5958000       1.567800    
 H    5.066100       2.022400       1.919000    
 H    1.123800      0.6550000     -0.7377000    
 H    7.351000       2.589700       2.332900    
 H    6.853300       3.475700      0.8883000    
 H    7.885400       2.034100      0.7508000    
 H   -1.190800      0.4261000      0.5638000    
 H  -0.8965000      -4.475800     -0.1570000    
 H   -4.320300      -1.229400     -0.4412000    
 H   -2.988700       1.268100     -0.6618000    
 H   -3.432700      0.9987000       1.062200    
 H   -4.176700      -3.474800      0.1574000    
 H   -3.771300      -3.197000      -1.562500    
 H   -3.145900      -4.609000     -0.7132000    
 H   -4.313800       3.145000       1.922300    
 H   -5.353400       4.503800       1.433300    
 H   -6.094000       2.979500       1.910700    
 H   -4.529200       4.790000     -0.8536000    
 H   -3.212500       3.683400     -0.3918000    
 H   -4.190000       3.380500      -1.854600    
 H    3.102800      -3.962600     -0.2770000    
 H    2.449100      -2.467100     -0.9778000    
 H    1.699900      -4.049400      -1.364900    


%chk=000056114-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056114

0 1
S -2.385784 2.629758 0.053889
O 2.332856 -1.866736 0.964494
O 0.245106 -3.637700 -0.822206
O -0.929459 2.092477 0.573593
O -3.730335 1.808261 1.214184
N 4.731322 1.871828 -0.188096
N 1.423733 0.271470 0.793539
N -3.420684 -0.468846 2.112090
N -2.613840 1.837578 -1.561654
C 3.336722 1.377270 -0.409207
C 2.586773 2.558899 -1.100818
C 3.542609 3.772599 -0.942157
C 4.933396 3.109052 -0.980697
C 2.717121 0.951626 0.949900
C 5.781319 0.839977 -0.306562
C 7.138091 1.303129 0.255488
C 1.314764 -1.110179 0.818438
C -0.101928 -1.624913 0.707471
C -1.094567 -0.904723 1.427183
C -0.514212 -2.791974 -0.003373
C -2.456155 -1.266979 1.441433
C -2.854792 -2.472442 0.777562
C -1.874851 -3.199359 0.080593
C -3.275203 0.939663 2.348187
C -4.297764 -2.942640 0.807167
C -1.939168 0.550540 -1.807362
C -3.987748 1.985928 -2.084804
C 1.488442 -3.183021 -1.461667
H 3.328252 0.479617 -1.071319
H 2.436342 2.337677 -2.173818
H 1.591173 2.741094 -0.657375
H 3.410204 4.531332 -1.732903
H 3.392272 4.261414 0.037417
H 5.228732 2.888961 -2.040130
H 5.721397 3.742773 -0.535719
H 2.589640 1.848675 1.583200
H 3.403237 0.255170 1.461441
H 5.912835 0.518284 -1.374025
H 5.443553 -0.052792 0.252458
H 0.586141 0.849042 0.637526
H 7.876159 0.481600 0.205260
H 7.027775 1.614260 1.309363
H 7.546113 2.156898 -0.315502
H -0.766794 -0.041470 2.008796
H -2.150078 -4.109634 -0.462710
H -4.382981 -0.807634 2.077411
H -2.233472 1.200181 2.601067
H -3.944496 1.246655 3.171771
H -4.636841 -3.164460 1.838890
H -4.991239 -2.186031 0.385978
H -4.422550 -3.865398 0.217677
H -2.530704 -0.319169 -1.456226
H -1.763210 0.460147 -2.894680
H -0.965004 0.544870 -1.292388
H -3.948590 1.927823 -3.187033
H -4.671576 1.201450 -1.701820
H -4.396194 2.973684 -1.806701
H 1.656355 -3.900138 -2.280822
H 2.320363 -3.187713 -0.740233
H 1.369321 -2.161211 -1.874158


