%chk=000051528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051528

0 1
 O    2.546000      -3.683000      -1.024400    
 N    2.614500      0.9731000      0.8116000    
 N   0.3379000      0.4863000      0.7371000    
 N    1.873700      -1.138400     -1.6700000E-02
 N   -3.285400      -1.479600     -5.2600000E-02
 C    3.143500       2.020500     -3.3300001E-02
 C    4.654600       1.820800     -0.1793000    
 C    2.461700       1.932100      -1.400600    
 C    2.852800       3.374900      0.6192000    
 C    1.630500      3.7700001E-02  0.4897000    
 C  -0.8963000     -0.1513000      0.4662000    
 C   -2.044900      0.5781000      0.1305000    
 C   -3.234300     -0.1360000     -0.1244000    
 C  -0.9460000      -1.535800      0.5410000    
 C   -2.154700      -2.146200      0.2745000    
 C   -2.027400       1.980700      4.6399999E-02
 C    3.256500      -1.525500     -0.2535000    
 C   -4.375000      0.5891000     -0.4579000    
 C   -3.182900       2.680600     -0.2893000    
 C   -4.357800       1.983600     -0.5416000    
 C   -2.255400      -3.633600      0.3427000    
 C    3.388500      -3.028000     -8.5100003E-02
 H    2.691700       1.180700       1.805800    
 H    4.891800      0.8761000     -0.6795000    
 H    5.103200       2.627200     -0.7702000    
 H    5.149100       1.805600      0.7988000    
 H    1.378700       2.085700      -1.334100    
 H    2.638400      0.9705000      -1.894200    
 H    2.849900       2.708200      -2.071200    
 H    3.325600       3.452400       1.605200    
 H    3.226100       4.200200      2.7999999E-03
 H    1.776200       3.523600      0.7626000    
 H   0.2600000       1.432600       1.093500    
 H  -0.1043000      -2.145900      0.8452000    
 H   -1.129700       2.566000      0.2231000    
 H    3.530200      -1.249000      -1.277500    
 H    3.957900      -1.053100      0.4416000    
 H   -5.308100      6.6500001E-02 -0.6605000    
 H   -3.165400       3.764200     -0.3563000    
 H   -5.263900       2.521500     -0.8050000    
 H   -3.267700      -3.971300      9.7499996E-02
 H   -1.564200      -4.095200     -0.3698000    
 H   -2.017400      -3.985500       1.351600    
 H    3.088400      -3.336600      0.9216000    
 H    4.421100      -3.344000     -0.2630000    
 H    2.656500      -4.639400     -0.8880000    


%chk=000051528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051528

0 1
O 3.095022 -3.636334 -0.786961
N 2.354663 1.404073 0.489758
N 0.150077 0.709216 0.110254
N 1.850328 -0.929532 -0.108413
N -3.470396 -1.586770 -0.021940
C 3.469108 1.998152 -0.329179
C 4.859868 1.672806 0.280807
C 3.383574 1.507563 -1.794912
C 3.261968 3.538658 -0.297939
C 1.514976 0.310018 0.133703
C -1.021457 -0.070579 0.079523
C -2.295106 0.598981 0.297610
C -3.489367 -0.216137 0.217319
C -1.024915 -1.451824 -0.166018
C -2.263599 -2.171258 -0.196128
C -2.437487 1.994362 0.586844
C 3.198191 -1.425256 0.198537
C -4.768245 0.401311 0.398202
C -3.700161 2.571457 0.762783
C -4.877211 1.769064 0.661764
C -2.250508 -3.664784 -0.452777
C 3.165353 -2.926414 0.500978
H 1.971694 2.036634 1.198326
H 5.069039 0.591634 0.248565
H 5.658493 2.193989 -0.279134
H 4.905405 2.001346 1.335194
H 2.409375 1.773400 -2.243626
H 3.508064 0.415753 -1.878888
H 4.181755 1.988025 -2.387961
H 3.276444 3.920332 0.741775
H 4.070673 4.048877 -0.850281
H 2.298010 3.816254 -0.762823
H 0.018603 1.719188 0.052218
H -0.072794 -1.950796 -0.355965
H -1.557169 2.641197 0.697883
H 3.886385 -1.295364 -0.662868
H 3.647068 -0.885066 1.062393
H -5.646888 -0.246987 0.324190
H -3.786848 3.640399 0.986928
H -5.862299 2.228343 0.799147
H -3.283555 -4.041599 -0.505466
H -1.729804 -3.900449 -1.399674
H -1.715725 -4.200715 0.354468
H 2.289083 -3.153200 1.142256
H 4.095223 -3.211028 1.040818
H 2.789292 -4.565841 -0.641092


