%chk=000163810.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163810

0 1
 O    4.731800     -0.7894000     -0.1376000    
 N   -1.066100       1.942000     -0.6185000    
 N    2.594900      -1.058500      0.6910000    
 C  -0.7978000      0.4974000     -0.3845000    
 C   -1.369600      0.1682000       1.021700    
 C   -1.072500      -1.350500       1.156400    
 C  -0.8664000       1.082700       2.152900    
 C   -1.739900     -0.3924000      -1.366000    
 C   0.7353000      4.7400001E-02 -0.3369000    
 C   0.3641000      -1.534400       1.665700    
 C   -1.134500       2.533400       1.782100    
 C  -0.5523000       2.853200      0.4087000    
 C    1.247800     -0.7716000      0.6389000    
 C   -2.235900      -2.045900      0.5109000    
 C   -2.537200      -1.590400     -0.7367000    
 C  -0.8314000       2.473100      -1.954300    
 C    1.653200      0.4809000      -1.376000    
 C   -3.615000      -2.194900      -1.580100    
 C    2.966500      0.2227000      -1.330400    
 C    3.524900     -0.5732000     -0.2074000    
 H   -2.460400      0.3409000       1.013000    
 H   -1.503600      -1.522700       2.166900    
 H   0.2051000      0.9841000       2.347000    
 H   -1.381100      0.8369000       3.089000    
 H   -1.143800     -0.7626000      -2.209000    
 H   -2.512500      0.2660000      -1.786900    
 H   0.6205000      -2.600100       1.648400    
 H   0.5382000      -1.156500       2.678900    
 H   -2.215600       2.721500       1.779800    
 H  -0.6974000       3.197500       2.536300    
 H  -0.8326000       3.886700      0.1678000    
 H   0.5436000       2.823700      0.4457000    
 H   -2.743800      -2.885600      0.9696000    
 H   0.1985000       2.814500      -2.097000    
 H   -1.478800       3.342800      -2.117500    
 H   -1.074600       1.761000      -2.748200    
 H    1.265500      0.9847000      -2.249800    
 H    2.919200      -1.659100       1.443600    
 H   -4.104900      -3.035200      -1.077400    
 H   -3.196300      -2.564900      -2.521300    
 H   -4.381700      -1.448200      -1.809400    
 H    3.638800      0.5425000      -2.117700    


%chk=000163810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163810

0 1
O 4.395939 -1.561918 -0.514522
N -1.061066 2.064657 -0.532139
N 2.276968 -1.407889 0.470511
C -0.930642 0.603165 -0.235077
C -1.506125 0.365821 1.203151
C -1.341898 -1.132131 1.568674
C -0.887611 1.306641 2.263561
C -1.827373 -0.198136 -1.231891
C 0.520125 0.049084 -0.299670
C 0.163326 -1.484902 1.739733
C -1.028794 2.782724 1.844809
C -0.422430 2.974204 0.441713
C 0.982928 -0.918942 0.596751
C -1.966928 -2.018231 0.504565
C -2.178317 -1.606882 -0.774356
C -1.046501 2.583463 -1.910558
C 1.433595 0.459030 -1.337625
C -2.786710 -2.508459 -1.829751
C 2.722821 -0.039930 -1.450875
C 3.238882 -1.030946 -0.518370
H -2.589102 0.592320 1.139536
H -1.845209 -1.317754 2.539286
H 0.189175 1.084454 2.398238
H -1.377949 1.126254 3.241034
H -1.330540 -0.267119 -2.220714
H -2.764846 0.376934 -1.388540
H 0.285092 -2.585755 1.779098
H 0.548418 -1.091135 2.703003
H -2.097359 3.070154 1.814440
H -0.517640 3.444539 2.570861
H -0.593814 4.011060 0.096662
H 0.685838 2.828152 0.492108
H -2.225062 -3.046631 0.794803
H -0.034168 2.852029 -2.298878
H -1.657041 3.507068 -1.956040
H -1.494606 1.862175 -2.611491
H 1.098928 1.197440 -2.071178
H 2.609499 -2.122317 1.127974
H -3.077912 -3.488516 -1.414110
H -2.074378 -2.685187 -2.660108
H -3.687694 -2.045791 -2.279698
H 3.402388 0.284901 -2.243219


