%chk=000135431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135431

0 1
 O    1.674400      -2.677300     -0.4191000    
 O   0.8095000      -3.551600       1.536500    
 N    1.984800       1.573600      -2.183900    
 N   -3.425300     -0.5110000      -1.630900    
 C  -1.4600000E-02 -0.8964000     -0.3855000    
 C   0.8906000      0.1721000     -0.8551000    
 C   -1.495800     -0.5893000     -0.6564000    
 C   0.3633000      -2.332100     -0.8558000    
 C    1.735600      0.9831000     -4.6999998E-02
 C   -2.325500      0.1129000      0.2071000    
 C    1.066200      0.5586000      -2.163900    
 C   -2.143300     -0.9716000      -1.767800    
 C    2.411000       1.853700     -0.9051000    
 C   -3.565300      0.1552000     -0.4344000    
 C    1.991400       1.060500       1.336400    
 C   -2.192500      0.7292000       1.467200    
 C    3.333000       2.801500     -0.4471000    
 C   -4.683100      0.7857000      0.1236000    
 C    2.911300       2.003700       1.809100    
 C   -3.302200       1.363600       2.037500    
 C    3.570500       2.859800      0.9292000    
 C   -4.527400       1.390100       1.374300    
 C    1.751300      -3.284900      0.8023000    
 C    3.182100      -3.588700       1.128700    
 H   7.8199998E-02 -0.9380000      0.7093000    
 H  -0.3745000      -3.072700     -0.5205000    
 H   0.3771000      -2.385700      -1.950900    
 H   0.6243000      0.2043000      -3.085000    
 H   -1.848900      -1.517400      -2.653100    
 H    2.304800       2.048600      -3.016600    
 H   -4.162600     -0.6400000      -2.310100    
 H    1.490200      0.4018000       2.039700    
 H   -1.246300      0.7190000       1.999900    
 H    3.846800       3.468400      -1.131100    
 H   -5.637400      0.8069000     -0.3919000    
 H    3.112900       2.067600       2.875100    
 H   -3.205400       1.840600       3.009200    
 H    4.281100       3.584800       1.317800    
 H   -5.376200       1.888400       1.835600    
 H    3.757500      -2.660300       1.167600    
 H    3.596900      -4.268400      0.3802000    
 H    3.235900      -4.073100       2.107900    


%chk=000135431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135431

0 1
O 1.792721 -2.556436 -0.592772
O 1.351439 -3.301418 1.573493
N 1.542722 1.933008 -1.708010
N -3.759506 -1.090583 -1.385893
C -0.184232 -1.038845 -0.177669
C 0.665128 0.165012 -0.554390
C -1.653960 -0.845261 -0.517541
C 0.339174 -2.349878 -0.821445
C 1.761371 0.725588 0.217620
C -2.512871 0.194321 0.031008
C 0.561839 0.930038 -1.715027
C -2.452181 -1.605348 -1.374881
C 2.293803 1.836045 -0.531262
C -3.826260 0.013898 -0.528642
C 2.336598 0.413431 1.479801
C -2.294535 1.259602 0.944842
C 3.372525 2.619359 -0.064583
C -4.912701 0.855238 -0.200385
C 3.409156 1.194019 1.953072
C -3.373176 2.101005 1.278039
C 3.924694 2.283489 1.188291
C -4.668145 1.901299 0.712299
C 2.173326 -3.026911 0.667648
C 3.679010 -3.117893 0.761132
H -0.105084 -1.175224 0.919978
H -0.212487 -3.218269 -0.416491
H 0.261266 -2.310251 -1.920241
H -0.154260 0.848464 -2.530467
H -2.203057 -2.479264 -1.973592
H 1.664915 2.640036 -2.429067
H -4.536281 -1.473050 -1.919464
H 1.947245 -0.415785 2.082503
H -1.301238 1.428012 1.374572
H 3.768199 3.459696 -0.646403
H -5.908896 0.705666 -0.631962
H 3.855583 0.967836 2.927941
H -3.220648 2.926287 1.982371
H 4.760966 2.870531 1.584186
H -5.486723 2.573863 0.992591
H 4.088983 -2.101293 0.906470
H 4.105982 -3.518387 -0.172274
H 3.963998 -3.746452 1.617605


