%chk=000129723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129723

0 1
 S   -5.521900      0.8127000      0.2460000    
 N    2.540800      0.6278000     -0.1059000    
 N    1.156100       2.349000     -7.3100001E-02
 N   0.6518000      -4.125500      7.4000001E-02
 C    3.914800      0.1777000     -0.1452000    
 C    4.679900       1.474700      0.1849000    
 C    3.726900       2.644500     -0.1788000    
 C    2.410700       1.981900     -0.1194000    
 C    1.327800      5.6400001E-02 -3.7799999E-02
 C   0.4706000       1.145000     -2.1600001E-02
 C    1.097200      -1.365900      1.9999999E-04
 C  -0.9587000       1.067000      4.2300001E-02
 C   0.9329000      -2.079100      -1.182600    
 C    1.038800      -2.032100       1.219900    
 C   -1.604700       1.052400       1.280100    
 C   -1.710100       1.004100      -1.133000    
 C   -2.996100      0.9752000       1.342400    
 C   -3.101500      0.9270000      -1.070900    
 C   0.7146000      -3.444600      -1.092200    
 C   0.8161000      -3.399500       1.202700    
 C   -3.744600      0.9127000      0.1669000    
 C   -5.841400     -0.7617000     -0.5990000    
 H    4.121500     -0.1792000      -1.158000    
 H    4.072800     -0.6083000      0.5967000    
 H    5.640500       1.539900     -0.3349000    
 H    4.887900       1.504600       1.262600    
 H    3.928400       3.007300      -1.191600    
 H    3.818900       3.471200      0.5300000    
 H   0.9716000      -1.595300      -2.153400    
 H    1.162100      -1.510600       2.163800    
 H   -1.036000       1.100200       2.206000    
 H   -1.224300       1.015700      -2.106100    
 H   -3.479500      0.9644000       2.316200    
 H   -3.664200      0.8860000      -2.000100    
 H   0.5802000      -4.045800      -1.985400    
 H   0.7619000      -3.965000       2.127100    
 H   -6.908400     -0.9910000     -0.5363000    
 H   -5.281400      -1.570200     -0.1214000    
 H   -5.562000     -0.6991000      -1.653800    


%chk=000129723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129723

0 1
S -5.703436 1.076952 0.689940
N 2.615485 0.610074 -0.178990
N 1.100594 2.212034 0.325865
N 1.068699 -4.382440 -0.520282
C 4.038249 0.276454 -0.384913
C 4.755474 1.550620 0.179302
C 3.697305 2.707721 0.124596
C 2.400609 1.945930 0.119787
C 1.376235 -0.057578 -0.144744
C 0.436606 0.973131 0.157290
C 1.261044 -1.514732 -0.290538
C -1.034486 0.931354 0.255407
C 2.068370 -2.250736 -1.205474
C 0.356539 -2.271424 0.509513
C -1.701461 1.919977 1.034488
C -1.833103 -0.019514 -0.433490
C -3.102431 1.937003 1.144880
C -3.239753 -0.010357 -0.326616
C 1.938822 -3.653887 -1.282228
C 0.295266 -3.670956 0.359111
C -3.886901 0.964799 0.469327
C -6.331324 -0.339751 -0.367033
H 4.250977 0.129620 -1.460955
H 4.317341 -0.645277 0.152644
H 5.667508 1.786124 -0.392955
H 5.048801 1.369405 1.227800
H 3.803243 3.316559 -0.793412
H 3.778262 3.391389 0.985248
H 2.768275 -1.739878 -1.874837
H -0.280234 -1.773056 1.245830
H -1.097289 2.679206 1.540235
H -1.360762 -0.767384 -1.078677
H -3.590369 2.706365 1.754158
H -3.815137 -0.759429 -0.879241
H 2.550116 -4.229983 -1.986618
H -0.393518 -4.264409 0.970925
H -7.427305 -0.314946 -0.265766
H -5.949709 -1.303576 0.004761
H -6.056600 -0.190906 -1.423039


