%chk=000000193.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000193

0 1
 S    2.845000      0.3124000     -0.1791000    
 O  -0.2123000      0.6224000     -0.3079000    
 O  -8.6400002E-02   3.823000       1.307400    
 O   -2.720200       3.153600     -0.1959000    
 O    6.492600      -2.925900     -0.5136000    
 O    8.192100      -1.680000      0.3218000    
 N   -2.436800     -6.4700000E-02  0.1119000    
 N   -3.076800      -1.806100       1.349800    
 N   -4.395200      0.1798000      -1.304700    
 N   -6.090800      -1.492300     -0.7709000    
 N   -5.784600      -3.129400      0.9475000    
 N    6.621600      0.3988000      0.9049000    
 C  -0.3519000       2.911800      0.2581000    
 C   -1.737700       2.319200      0.3921000    
 C   0.5214000       1.671100      0.3470000    
 C   -1.594900       1.019500     -0.3895000    
 C    1.874300       1.837100     -0.3217000    
 C   -3.685200     -0.4046000     -0.3279000    
 C   -2.115600     -0.9362000       1.119600    
 C   -4.064000      -1.485400      0.4523000    
 C    4.329900      0.8612000      -1.051700    
 C    5.414500     -0.2172000      -1.133000    
 C   -5.318700      -2.032300      0.2026000    
 C    5.958000     -0.7120000      0.2151000    
 C   -5.588500     -0.4353000      -1.454000    
 C    7.010200      -1.788900      1.9700000E-02
 H  -0.2388000       3.437800     -0.6969000    
 H   -2.007000       2.159000       1.443100    
 H   0.6584000       1.378800       1.397100    
 H   -1.837000       1.147200      -1.451400    
 H    2.426700       2.661500      0.1402000    
 H    1.743600       2.050700      -1.388000    
 H  -0.1844000       3.354700       2.153800    
 H   -3.569000       2.681100     -0.1529000    
 H   -1.176400     -0.8898000       1.654100    
 H    4.724700       1.755700     -0.5590000    
 H    4.045000       1.145200      -2.070700    
 H    6.242900      0.1716000      -1.741900    
 H    5.020400      -1.071100      -1.700700    
 H    5.174800      -1.119200      0.8614000    
 H   -6.233400     -2.8500000E-02  -2.225500    
 H   -5.210800      -3.533500       1.675200    
 H   -6.700300      -3.508400      0.7479000    
 H    7.030800      7.0100002E-02   1.778500    
 H    7.389600      0.7568000      0.3383000    
 H    7.175700      -3.620700     -0.6265000    


%chk=000000193-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000193

0 1
S 3.132718 -0.162274 -2.625893
O -0.105782 0.475484 -1.634072
O 1.538660 2.110651 1.217052
O -1.577302 2.531631 1.038177
O 4.870827 -1.940059 1.694238
O 5.853497 -0.012492 2.539531
N -2.217668 -0.204472 -0.700586
N -3.332474 -2.180172 -1.045879
N -3.645257 0.749813 1.110265
N -5.504680 -0.738378 1.693280
N -5.858198 -2.825201 0.646024
N 4.507682 1.562739 0.530958
C 0.626664 1.991093 0.081149
C -0.768972 1.483547 0.471318
C 1.130619 0.881499 -0.868052
C -1.281485 0.926204 -0.887914
C 2.214939 1.308921 -1.846716
C -3.291097 -0.205809 0.191670
C -2.293566 -1.408515 -1.422652
C -3.967865 -1.432799 -0.037066
C 4.923623 0.277037 -2.151423
C 5.413104 -0.349755 -0.835464
C -5.120320 -1.682828 0.764932
C 4.580976 0.103246 0.403523
C -4.765833 0.399666 1.815300
C 5.166923 -0.570016 1.654358
H 0.524684 2.961632 -0.447835
H -0.644669 0.628358 1.173273
H 1.463735 0.017188 -0.260345
H -1.796347 1.722476 -1.461935
H 2.983266 1.886427 -1.302270
H 1.778107 1.914113 -2.657952
H 1.119062 2.713200 1.882643
H -2.478187 2.091238 1.251706
H -1.557392 -1.655773 -2.182227
H 4.982749 1.376142 -2.104199
H 5.533619 -0.080781 -2.998839
H 6.473839 -0.052819 -0.690708
H 5.381499 -1.452747 -0.898313
H 3.559450 -0.295370 0.261604
H -5.109545 1.116684 2.565939
H -5.588416 -3.534446 -0.033000
H -6.673338 -2.952920 1.242708
H 3.647243 1.886171 0.995477
H 5.354136 1.969877 0.945208
H 5.292273 -2.348813 2.499006


