%chk=000068933.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068933

0 1
 S  -0.6956000      -2.220700      0.1860000    
 O   -1.573700      -3.174000     -0.4820000    
 O  -0.2678000      -2.497700       1.551900    
 N   0.6868000      -1.976000     -0.8127000    
 N    1.560200      0.1246000      -1.438100    
 N    2.223100     -0.9179000      0.6309000    
 N   -3.364700       3.091300      6.9200002E-02
 C   -1.479300     -0.6608000      0.1513000    
 C   -2.430400     -0.3795000     -0.8294000    
 C   -1.154200      0.3040000       1.104700    
 C   -2.731500       1.831500      9.6600004E-02
 C   -3.056500      0.8667000     -0.8568000    
 C   -1.780300       1.550200       1.077400    
 C    1.541400     -0.8563000     -0.5230000    
 C    3.128800       1.226100      1.7700000E-02
 C    2.371100       1.159200      -1.133500    
 C    3.013500      0.1485000      0.8719000    
 C    4.009400       2.380900      0.3181000    
 H   0.5224000      -2.103300      -1.819900    
 H   -2.693900      -1.112700      -1.586500    
 H  -0.4163000      0.1079000       1.877300    
 H   -3.794900       1.074500      -1.627200    
 H   -1.517900       2.293900       1.825400    
 H    2.388000       1.956000      -1.870300    
 H    3.565500      0.1037000       1.805400    
 H    4.879800       2.070500      0.9061000    
 H    4.388900       2.837500     -0.6022000    
 H    3.458200       3.139300      0.8829000    
 H   -3.128800       3.791500      0.7598000    
 H   -4.053600       3.296300     -0.6422000    


%chk=000068933-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068933

0 1
S -0.653377 -1.835582 -0.113203
O -1.375204 -2.927772 -1.080815
O -0.006783 -2.267865 1.307574
N 0.675290 -1.214445 -1.270572
N 2.884952 -0.542173 -1.643449
N 1.612664 0.339937 0.251249
N -4.532831 2.723339 0.711448
C -1.805089 -0.397027 0.123521
C -2.905862 -0.297118 -0.746528
C -1.575866 0.500765 1.181483
C -3.626966 1.688664 0.513978
C -3.818781 0.751952 -0.548384
C -2.495011 1.544724 1.375154
C 1.760196 -0.451470 -0.859099
C 3.902339 1.116413 -0.156215
C 3.926870 0.256950 -1.285529
C 2.693532 1.096736 0.586075
C 5.075286 1.993594 0.223510
H 0.828511 -1.879161 -2.040164
H -3.049384 -1.036812 -1.540517
H -0.696219 0.382056 1.819764
H -4.687390 0.848706 -1.209606
H -2.340927 2.256667 2.193991
H 4.818941 0.188828 -1.920647
H 2.582988 1.713057 1.487115
H 5.115423 2.161215 1.314283
H 6.033158 1.538028 -0.083768
H 5.011607 2.986456 -0.261813
H -4.410221 3.387002 1.470903
H -5.344145 2.829536 0.109062


