%chk=000131743.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131743

0 1
 S  -0.9283000       1.562700      -1.289700    
 O    1.851000     -0.6021000      -2.178700    
 N    2.004400       1.349100     -0.2236000    
 N   -3.831100      -1.600000      0.3442000    
 N   -4.042800      0.5763000     -4.3600000E-02
 N    2.694800     -0.9204000     -1.1300000E-02
 N    2.945300      0.4842000       1.799100    
 N    2.638300      -2.658400      -1.524900    
 C   -1.725000       1.341100      0.3168000    
 C   -2.756600      0.2619000      0.2725000    
 C   0.2103000       2.906100     -0.8328000    
 C    1.219000       2.475700      0.2250000    
 C   -2.585400      -1.066100      0.5184000    
 C   -1.420300      -1.883300      0.8912000    
 C   -4.672500     -0.5764000      7.7000000E-03
 C    2.552300      0.3519000      0.5713000    
 C    2.348500      -1.320000      -1.313900    
 C    3.497900     -0.6824000       2.472500    
 H   -2.195600       2.282600      0.6198000    
 H  -0.9879000       1.071900       1.077500    
 H   0.7333000       3.214200      -1.744900    
 H  -0.3684000       3.767300     -0.4835000    
 H   0.7377000       2.262700       1.183900    
 H    1.901500       3.312500      0.4142000    
 H    1.940200       1.159600      -1.220200    
 H   -4.087700      -2.573200      0.4449000    
 H  -0.9261000      -1.469900       1.776300    
 H   -1.702300      -2.916400       1.118500    
 H  -0.6918000      -1.905300      7.4199997E-02
 H   -5.723600     -0.7369000     -0.1851000    
 H    3.090500      -1.673000      0.5385000    
 H    3.774000     -0.3879000       3.491000    
 H    4.418800      -1.039700       1.998800    
 H    2.764100      -1.489100       2.577200    
 H    2.446200      -3.101000      -2.417400    
 H    3.048000      -3.239600     -0.8015000    


%chk=000131743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131743

0 1
S -1.132459 1.217658 -1.206003
O 3.847546 -0.037328 -2.353272
N 2.165486 1.224814 -0.639487
N -4.178488 -1.352546 1.175659
N -4.149883 0.898454 1.006726
N 3.116645 -0.923927 -0.287915
N 1.614290 0.045807 1.339096
N 4.589602 -2.127890 -1.670501
C -1.669083 1.297622 0.636517
C -2.836730 0.396670 0.868620
C 0.135615 2.614660 -1.210985
C 1.366040 2.399422 -0.300349
C -2.833041 -1.003786 0.969695
C -1.717469 -2.002439 0.871588
C -4.930940 -0.179370 1.193341
C 2.251738 0.128009 0.187621
C 3.846182 -0.968615 -1.485754
C 1.837956 -1.112079 2.219492
H -1.956907 2.339412 0.851038
H -0.783655 1.002434 1.225724
H 0.438766 2.706099 -2.269683
H -0.378365 3.549264 -0.917520
H 1.059568 2.296080 0.753115
H 2.002573 3.306645 -0.377632
H 2.676346 1.165846 -1.532980
H -4.533485 -2.301193 1.290901
H -0.763785 -1.462164 0.752933
H -1.645078 -2.638768 1.775389
H -1.832769 -2.668469 -0.005339
H -6.007834 -0.164191 1.344320
H 3.165105 -1.731239 0.335073
H 1.208765 -0.992922 3.117418
H 2.890773 -1.199606 2.576872
H 1.553190 -2.093989 1.766633
H 5.125301 -2.192971 -2.532865
H 4.629181 -2.896705 -1.005085


