%chk=000125305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125305

-1 1
 O    4.088600      0.3311000      0.8309000    
 N    2.751700      0.1588000      0.2908000    
 N   -1.145100     -0.8571000     -0.3623000    
 N   -4.614900      0.2606000      0.4026000    
 C    1.892600       1.384900      5.0099999E-02
 C    2.255000      -1.241500     -1.3200000E-02
 C   4.4500001E-02 -0.1657000     -0.8654000    
 C   0.4198000      0.9555000      0.1037000    
 C    1.189400      -1.149300      -1.116000    
 C    2.132300       2.405500       1.177600    
 C    2.302700       1.984400      -1.297300    
 C    1.737600      -1.848100       1.293400    
 C    3.421600      -2.089600     -0.5554000    
 C   -2.260500      6.6699997E-02 -0.2375000    
 C   -3.500400     -0.6700000      0.2604000    
 C   -5.799600     -0.4297000      0.9149000    
 C   -4.915300      0.9036000     -0.8774000    
 H  -0.2056000      0.2767000      -1.839800    
 H  -0.2006000       1.838300     -0.1055000    
 H   0.1840000      0.6647000       1.136400    
 H   0.7924000      -2.151500      -1.331000    
 H    1.679700     -0.8524000      -2.053600    
 H    1.444500       3.254200       1.083700    
 H    1.974400       1.957800       2.165800    
 H    3.146800       2.819100       1.156200    
 H    1.687000       2.859400      -1.534300    
 H    3.348600       2.312100      -1.286700    
 H    2.202200       1.278300      -2.125200    
 H   0.9505000      -1.251800       1.760100    
 H    1.331700      -2.851000       1.119600    
 H    2.540100      -1.943100       2.034100    
 H    3.902400      -1.609300      -1.415600    
 H    4.193300      -2.269500      0.2016000    
 H    3.064800      -3.073900     -0.8811000    
 H   -1.396000      -1.614700     -0.9973000    
 H   -2.052700      0.8702000      0.4769000    
 H   -2.432900      0.5131000      -1.221900    
 H   -3.755400      -1.489300     -0.4258000    
 H   -3.275500      -1.122400       1.235200    
 H   -6.150900      -1.211300      0.2314000    
 H   -6.618600      0.2796000       1.079200    
 H   -5.587100     -0.8903000       1.886100    
 H   -5.855100       1.465700     -0.8097000    
 H   -5.021400      0.1827000      -1.696300    
 H   -4.164100       1.652800      -1.145600    


%chk=000125305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125305

-1 1
O 4.018251 0.610429 -0.660942
N 2.603303 0.264977 -0.586717
N -1.398359 -0.790845 0.086453
N -4.963146 0.483645 -0.369918
C 1.882789 1.279303 0.339451
C 2.462048 -1.201039 -0.169335
C 0.004993 -0.355030 -0.222431
C 0.505337 0.704505 0.779051
C 0.940147 -1.581516 -0.130107
C 2.772816 1.700893 1.542258
C 1.691330 2.510185 -0.588459
C 3.196632 -1.520194 1.170388
C 3.174213 -1.992019 -1.296946
C -2.450080 0.123557 -0.406160
C -3.828332 -0.360184 0.087651
C -6.174790 0.268260 0.442889
C -5.250329 0.341472 -1.810501
H 0.067556 0.065886 -1.252164
H -0.230995 1.529487 0.879905
H 0.577124 0.217387 1.772373
H 0.705020 -2.108665 0.818649
H 0.702384 -2.282410 -0.959866
H 2.617292 2.757929 1.835561
H 2.616850 1.061866 2.432110
H 3.807934 1.555317 1.140407
H 1.274380 3.380799 -0.041187
H 2.686479 2.756870 -1.003244
H 1.021871 2.255797 -1.432869
H 2.607567 -1.205827 2.052161
H 3.432160 -2.599371 1.276621
H 4.139337 -0.933660 1.122530
H 2.702449 -1.755481 -2.269909
H 4.220399 -1.639926 -1.335263
H 3.121749 -3.085593 -1.115699
H -1.551079 -1.742294 -0.287473
H -2.264538 1.132351 0.003645
H -2.444159 0.228973 -1.522107
H -3.975355 -1.433233 -0.217368
H -3.805045 -0.344908 1.192345
H -6.588938 -0.772775 0.364693
H -6.967872 0.971041 0.124723
H -5.948313 0.463616 1.506287
H -6.052720 1.044964 -2.101311
H -5.579393 -0.695034 -2.091302
H -4.352465 0.584795 -2.402075


