%chk=000154206.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154206

0 1
 O   -4.237500     -0.2915000     -0.5755000    
 O   -2.789700      -3.717900       1.776700    
 N   -1.490400       1.195200     -0.8088000    
 N   -2.455000      -1.199400      0.6194000    
 N    2.241500      -1.659500     -0.3038000    
 C   -2.491000       1.163900      0.2683000    
 C   0.4897000     -0.2776000     -0.5243000    
 C  -0.1510000       1.000600     -0.4766000    
 C   8.1799999E-02  -1.630100     -0.8594000    
 C    1.846000     -0.3491000     -0.1796000    
 C   -1.266200      -2.140600      -1.296300    
 C   -3.444000       2.352300      0.2251000    
 C   -2.259500      -2.420500     -0.1437000    
 C    2.603400      0.7601000      0.2108000    
 C    4.044700      0.6637000      0.5879000    
 C   -3.216100     -0.1612000      9.2100002E-02
 C    1.197600      -2.432500     -0.7150000    
 C   0.6259000       2.115000     -8.2300000E-02
 C    1.969500       1.997100      0.2545000    
 C   -1.768400       1.739000      -2.126000    
 C   -1.818600      -3.560800      0.7674000    
 C   -4.506700       2.231000       1.316100    
 C   -2.675700       3.665100      0.3701000    
 C    4.731500       2.025000      0.9538000    
 C    4.199300     -0.2156000       1.872500    
 C    4.891900      0.1266000     -0.5883000    
 C    5.647100     -0.9783000     -0.6351000    
 H   -1.993900       1.158400       1.249600    
 H   -1.702800      -1.413300      -1.992200    
 H   -1.132400      -3.061800      -1.878700    
 H   -3.987500       2.388300     -0.7266000    
 H   -3.229900      -2.682400     -0.5850000    
 H   -1.746300     -0.9792000       1.313200    
 H    1.331100      -3.494700     -0.8679000    
 H    3.170700      -2.013300     -0.1319000    
 H   0.1726000       3.102900     -3.9799999E-02
 H    2.474600       2.911300      0.5464000    
 H   -2.823500       1.633500      -2.394900    
 H   -1.206200       1.186800      -2.889200    
 H   -1.483200       2.791100      -2.210100    
 H  -0.8618000      -3.346200       1.253300    
 H   -1.730000      -4.496300      0.2060000    
 H   -4.048900       2.161200       2.309100    
 H   -5.161300       3.109800       1.314800    
 H   -5.149000       1.356800       1.177500    
 H   -2.062200       3.666500       1.277900    
 H   -3.374100       4.506400      0.4490000    
 H   -2.028900       3.884500     -0.4790000    
 H    4.264700       2.490500       1.830200    
 H    5.791200       1.878100       1.200200    
 H    4.694900       2.739400      0.1219000    
 H    3.605500      0.2017000       2.695600    
 H    5.242400     -0.2503000       2.210200    
 H    3.870800      -1.249500       1.737400    
 H    4.861000      0.7329000      -1.494200    
 H   -2.499500      -4.451300       2.345400    
 H    6.188100      -1.228400      -1.541900    
 H    5.747400      -1.652400      0.2066000    


%chk=000154206-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154206

0 1
O -4.112358 -0.310887 -0.665029
O -2.492911 -3.772702 1.874269
N -1.503872 1.417546 -0.704175
N -2.372289 -1.058254 0.697818
N 2.299384 -1.574951 -0.656449
C -2.584981 1.370978 0.323783
C 0.484219 -0.173741 -0.574938
C -0.153673 1.096730 -0.328585
C 0.046239 -1.486985 -1.065558
C 1.902550 -0.280858 -0.298042
C -1.343066 -2.024559 -1.340536
C -3.652314 2.479366 0.177591
C -2.183128 -2.320662 -0.041513
C 2.691489 0.746392 0.294900
C 4.180665 0.519240 0.660530
C -3.160199 -0.058688 0.144299
C 1.191330 -2.285967 -1.115915
C 0.625527 2.110325 0.270848
C 1.999316 1.939369 0.590438
C -1.874732 1.402498 -2.131666
C -1.529141 -3.391700 0.833724
C -4.727763 2.324144 1.278338
C -3.005392 3.880785 0.215467
C 4.902419 1.859732 0.997533
C 4.260997 -0.404298 1.910682
C 4.923531 -0.061406 -0.550071
C 5.711285 -1.168355 -0.583504
H -2.094563 1.470888 1.312512
H -1.942300 -1.323960 -1.946949
H -1.266170 -2.961365 -1.926911
H -4.152224 2.333247 -0.800247
H -3.181281 -2.674077 -0.354886
H -1.596237 -0.766124 1.297793
H 1.282495 -3.321167 -1.441748
H 3.274279 -1.875133 -0.694024
H 0.144292 3.078147 0.450080
H 2.532460 2.780282 1.043777
H -2.748688 0.749843 -2.329138
H -1.019900 1.036064 -2.724867
H -2.124955 2.421779 -2.493224
H -0.586077 -3.005374 1.279457
H -1.273149 -4.261031 0.189860
H -4.281415 2.420753 2.287832
H -5.500700 3.108024 1.177537
H -5.227499 1.342794 1.207702
H -2.557763 4.082246 1.209045
H -3.760929 4.664847 0.023494
H -2.206107 3.973647 -0.541603
H 4.467682 2.330793 1.897609
H 5.969793 1.663286 1.200296
H 4.836458 2.579438 0.161764
H 3.731177 0.070420 2.754878
H 5.311312 -0.569086 2.214743
H 3.791077 -1.387983 1.730910
H 4.807707 0.533765 -1.470170
H -2.074507 -4.430574 2.484614
H 6.234659 -1.460797 -1.500907
H 5.881643 -1.795685 0.299431


