%chk=000152078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152078

0 1
 S   -3.319700     -0.6998000      0.1888000    
 S    3.318900      0.6952000      0.2002000    
 O   -3.341300      -1.414500      -1.076000    
 O   -3.367100      -1.417700       1.450900    
 O    3.346300       1.440900      -1.046300    
 O    3.361100       1.381600       1.479900    
 N   -4.554100      0.4762000      0.1776000    
 N    4.553200     -0.4806000      0.1653000    
 C   -5.875900      5.4800000E-02 -0.3034000    
 C    5.877200     -4.7899999E-02 -0.2994000    
 C   -4.983100      0.8994000      -1.161100    
 C    4.987900     -0.8707000      -1.181500    
 C   -1.901800      0.3506000      0.2045000    
 C    1.900800     -0.3549000      0.1838000    
 C  -0.6135000     -0.4575000      0.2167000    
 C   0.6127000      0.4532000      0.2105000    
 C   -7.100300      0.6317000      0.2972000    
 C    7.098700     -0.6398000      0.2922000    
 H   -5.967700      -1.001000     -0.5184000    
 H    5.970200       1.012900     -0.4878000    
 H   -5.150500       1.966000      -1.209200    
 H   -4.485100      0.4550000      -2.007600    
 H    5.155400      -1.935800      -1.255200    
 H    4.493700     -0.4053000      -2.019000    
 H   -1.967300      0.9822000       1.096300    
 H   -1.947000      0.9836000     -0.6876000    
 H    1.963200      -1.007000       1.061000    
 H    1.948800     -0.9671000     -0.7225000    
 H  -0.5827000      -1.119900     -0.6572000    
 H  -0.5869000      -1.104900       1.101700    
 H   0.5741000       1.117300     -0.6618000    
 H   0.5942000       1.098800       1.097100    
 H   -7.368300      8.5900001E-02   1.207400    
 H   -7.937400      0.5542000     -0.4034000    
 H   -6.974500       1.687200      0.5610000    
 H    7.362800     -0.1168000       1.216700    
 H    7.939000     -0.5453000     -0.4026000    
 H    6.971600      -1.701400      0.5292000    


%chk=000152078-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152078

0 1
S -3.432372 -0.761409 -0.408093
S 3.434457 0.772567 -0.391714
O -3.508844 -1.560016 -1.831202
O -3.437970 -1.608862 0.988892
O 3.514863 1.601038 -1.797427
O 3.439010 1.590149 1.022971
N -4.816185 0.621157 -0.343987
N 4.815619 -0.613634 -0.354735
C -6.059672 0.105907 0.407489
C 6.059598 -0.116938 0.408241
C -6.063174 0.146712 -1.104133
C 6.064233 -0.126237 -1.103891
C -1.898348 0.397394 -0.422250
C 1.899161 -0.383798 -0.432560
C -0.625451 -0.451947 -0.430737
C 0.626712 0.466168 -0.421844
C -6.761694 1.142063 1.261759
C 6.758599 -1.172496 1.240980
H -5.936054 -0.884983 0.867191
H 5.938032 0.864375 0.888558
H -6.570973 0.958953 -1.634842
H -5.975414 -0.794614 -1.662043
H 6.570747 -0.928361 -1.650963
H 5.978904 0.826659 -1.642221
H -2.031510 1.005669 0.486220
H -2.046457 1.004693 -1.328998
H 2.031770 -1.012515 0.461972
H 2.046852 -0.970708 -1.352700
H -0.617456 -1.097862 -1.329207
H -0.617191 -1.112866 0.456864
H 0.617784 1.130733 -1.306571
H 0.619669 1.108321 0.479452
H -6.246457 1.264282 2.230727
H -7.802564 0.826454 1.461005
H -6.787365 2.122882 0.756456
H 6.243038 -1.313166 2.207269
H 7.800435 -0.864212 1.446553
H 6.781269 -2.142750 0.715521


