%chk=000104593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104593

0 1
 O   -2.031000      0.3367000      -1.888900    
 N  -0.1203000     -0.2826000     -0.6812000    
 N   -3.726500     -0.5945000     -0.2169000    
 N   -6.021000      0.5682000       1.103200    
 C   0.6676000      -1.390100      5.0000002E-04
 C   0.5696000       1.051300     -0.9299000    
 C    2.169500      -1.323400     -0.4058000    
 C    2.772400      2.4100000E-02 -0.2047000    
 C    2.011400       1.097500     -0.4488000    
 C   0.2505000      -2.822100     -0.4185000    
 C   0.5443000      -1.252500       1.533700    
 C   -1.499500     -0.3379000     -0.9980000    
 C  -0.1551000       2.180300     -0.1580000    
 C   0.6229000       1.379800      -2.436900    
 C   -2.417100      -1.243500     -0.2216000    
 C   -3.651700      0.7263000      0.4196000    
 C   -4.722100      -1.433700      0.4610000    
 C    4.190000      0.1356000      0.1992000    
 C   -5.024600       1.407100      0.4258000    
 C   -6.095300     -0.7534000      0.4685000    
 C    4.627400       1.245300      0.9264000    
 C    5.098700     -0.8685000     -0.1440000    
 C   -7.330400       1.217300       1.105900    
 C    5.964900       1.350500       1.308000    
 C    6.436200     -0.7636000      0.2377000    
 C    6.869300      0.3460000      0.9637000    
 H    2.287200      -1.596300      -1.464300    
 H    2.712100      -2.077900      0.1793000    
 H    2.444700       2.093600     -0.3782000    
 H   0.9932000      -3.566000     -0.1057000    
 H  -0.6878000      -3.135400      4.3699998E-02
 H   0.1359000      -2.895400      -1.505700    
 H   0.7900000     -0.2406000       1.872700    
 H  -0.4544000      -1.476400       1.909100    
 H    1.226900      -1.944300       2.041700    
 H   0.4050000       3.123000     -0.1872000    
 H   -1.133400       2.401100     -0.5922000    
 H  -0.3063000       1.910800      0.8937000    
 H    1.265200       2.246600      -2.637700    
 H    1.018500      0.5325000      -3.009600    
 H  -0.3570000       1.628800      -2.852500    
 H   -2.077800      -1.411900      0.7961000    
 H   -2.481500      -2.194800     -0.7590000    
 H   -2.986700       1.422000     -9.0899996E-02
 H   -3.285200      0.6372000       1.452000    
 H   -4.413700      -1.652900       1.492300    
 H   -4.815600      -2.393100     -6.2199999E-02
 H   -4.932300       2.365600      0.9512000    
 H   -5.332700       1.627500     -0.6054000    
 H   -6.472600     -0.6732000     -0.5601000    
 H   -6.793400      -1.392100       1.023100    
 H    3.950800       2.037100       1.236600    
 H    4.801400      -1.737100     -0.7257000    
 H   -7.279600       2.183100       1.620800    
 H   -8.059800      0.6086000       1.651500    
 H   -7.711900       1.386500      9.2399999E-02
 H    6.301600       2.211500       1.878100    
 H    7.141800      -1.543400     -3.3900000E-02
 H    7.910700      0.4275000       1.261100    


%chk=000104593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104593

0 1
O -1.924120 0.940370 -1.559496
N -0.047632 -0.015545 -0.547107
N -3.790709 -0.438892 -0.073062
N -6.391356 0.226548 1.012687
C 0.658883 -1.164035 0.161912
C 0.759269 1.223308 -0.970960
C 2.134246 -1.261417 -0.350872
C 2.902404 0.037294 -0.233131
C 2.204546 1.171011 -0.503744
C 0.051125 -2.556937 -0.176626
C 0.667985 -0.926672 1.698146
C -1.432194 0.048740 -0.799207
C 0.136862 2.513049 -0.353733
C 0.805207 1.323851 -2.532028
C -2.407260 -0.932379 -0.087496
C -3.986710 0.784656 0.738855
C -4.749436 -1.497138 0.322392
C 4.342681 0.030181 0.137210
C -5.433277 1.284950 0.607494
C -6.193208 -0.986748 0.185285
C 4.959036 1.154948 0.758301
C 5.154207 -1.109461 -0.127321
C -7.789123 0.696700 0.991877
C 6.330937 1.147585 1.081273
C 6.528324 -1.118702 0.196790
C 7.126014 0.010306 0.801359
H 2.115311 -1.611092 -1.403935
H 2.622105 -2.056750 0.241527
H 2.699731 2.150160 -0.496762
H 0.810994 -3.329718 0.038470
H -0.833536 -2.808078 0.425661
H -0.205434 -2.626463 -1.248894
H 1.235222 -0.014498 1.949003
H -0.357023 -0.812352 2.091413
H 1.140168 -1.782098 2.216347
H 0.761940 3.382015 -0.630010
H -0.881175 2.685138 -0.729585
H 0.116316 2.440588 0.749000
H 1.419797 2.192903 -2.830971
H 1.265808 0.415885 -2.960309
H -0.212362 1.443684 -2.932859
H -2.032644 -1.149893 0.944298
H -2.410641 -1.888865 -0.641160
H -3.300680 1.564106 0.367573
H -3.767991 0.592251 1.821533
H -4.590550 -1.830869 1.381016
H -4.608093 -2.373320 -0.339371
H -5.579407 2.163699 1.263623
H -5.601579 1.607545 -0.450937
H -6.398901 -0.784297 -0.897073
H -6.895144 -1.770281 0.529013
H 4.350812 2.030248 1.012959
H 4.715871 -1.988219 -0.613687
H -7.898350 1.566927 1.664244
H -8.457407 -0.104103 1.357607
H -8.140194 1.001842 -0.027281
H 6.779860 2.023086 1.564170
H 7.132688 -2.005436 -0.025750
H 8.191186 0.003084 1.057431


