%chk=000102637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102637

0 1
 O   5.0799999E-02   2.592900       1.571500    
 N   -3.337300     -0.5543000     -7.0900001E-02
 N   0.4220000      0.4616000       2.266500    
 C   0.2883000      0.8812000     -0.1889000    
 C   -1.229500      0.6213000     -0.5386000    
 C   0.8211000       1.998400      -1.190100    
 C   -1.948700     -0.3986000      0.3614000    
 C    1.178000     -0.3857000     -0.3101000    
 C   -4.061300      0.7182000      5.7000000E-02
 C   -3.997600      -1.620700      0.6950000    
 C   -5.502700      0.5852000     -0.4376000    
 C   -5.436700      -1.830000      0.2216000    
 C   -6.237500     -0.5345000      0.2905000    
 C   0.2676000       1.415000       1.282600    
 C   6.1400000E-02   3.333800      -1.125800    
 C   0.8878000       1.555500      -2.662400    
 C    2.513800     -0.3235000      1.3200000E-02
 C   0.5334000      -1.512800     -0.7490000    
 C    3.270300      -1.512400     -0.1192000    
 C    1.277100      -2.681900     -0.8792000    
 C    3.147200      0.8471000      0.4612000    
 C    2.636800      -2.683100     -0.5668000    
 C    4.637800      -1.495300      0.2002000    
 C    4.506900      0.8458000      0.7740000    
 C    5.250800     -0.3231000      0.6437000    
 H   -1.355700      0.3427000      -1.591400    
 H   -1.725400       1.583100     -0.4076000    
 H    1.844800       2.289600     -0.9647000    
 H   -1.958700     -2.1700000E-02   1.392100    
 H   -1.490500      -1.381700      0.4386000    
 H   -3.634600       1.506200     -0.5678000    
 H   -4.058100       1.074600       1.095500    
 H   -3.993300      -1.391300       1.768800    
 H   -3.457900      -2.566100      0.5612000    
 H   -5.505000      0.3821000      -1.516200    
 H   -6.034800       1.531900     -0.2896000    
 H   -5.921000      -2.596900      0.8367000    
 H   -5.433300      -2.203000     -0.8106000    
 H   -6.387400     -0.2522000       1.339800    
 H   -7.230100     -0.6816000     -0.1490000    
 H   -1.007800       3.237500      -1.325600    
 H   0.2109000       3.881500     -0.1958000    
 H   0.4458000       4.007800      -1.903300    
 H  -0.1072000       1.379300      -3.081200    
 H    1.482800      0.6471000      -2.790900    
 H    1.362100       2.331300      -3.275000    
 H  -0.4579000      -1.568800      -1.171800    
 H   0.5268000     -0.5295000       2.079300    
 H   0.4018000      0.7280000       3.245400    
 H   0.8096000      -3.585600      -1.259900    
 H    2.643900       1.778300      0.6818000    
 H    3.200500      -3.606300     -0.6841000    
 H    5.238400      -2.397700      0.1071000    
 H    4.981700       1.752200       1.138900    
 H    6.308100     -0.3247000      0.8921000    


%chk=000102637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102637

0 1
O 0.610767 2.954926 1.718409
N -3.255060 -0.385555 0.203061
N 0.634471 0.765989 2.432684
C 0.289812 1.177403 -0.014021
C -1.273953 1.110389 -0.157499
C 0.851541 2.210605 -1.102161
C -2.047713 0.206631 0.837503
C 0.973583 -0.198595 -0.235261
C -4.265407 0.638703 -0.176235
C -3.863798 -1.441003 1.056119
C -5.440487 0.002483 -0.945975
C -5.022007 -2.148150 0.324382
C -6.094675 -1.126258 -0.117666
C 0.546868 1.718908 1.434246
C 0.071493 3.548718 -1.194772
C 0.943002 1.580483 -2.515477
C 2.399466 -0.387978 0.005950
C 0.245587 -1.273239 -0.773893
C 3.010463 -1.667838 -0.319148
C 0.851475 -2.527644 -1.086035
C 3.261884 0.629203 0.549128
C 2.211755 -2.724795 -0.865252
C 4.414259 -1.869290 -0.098144
C 4.625261 0.404989 0.751842
C 5.214793 -0.854896 0.425184
H -1.515726 0.772395 -1.182813
H -1.644712 2.144157 -0.066170
H 1.880551 2.465157 -0.784794
H -2.304580 0.791760 1.755935
H -1.417195 -0.637607 1.170075
H -3.778167 1.404369 -0.805181
H -4.660182 1.161586 0.736438
H -4.249007 -1.009437 2.018785
H -3.074413 -2.171928 1.316192
H -5.057342 -0.412145 -1.898562
H -6.182914 0.785208 -1.194662
H -5.462955 -2.916073 0.988986
H -4.615723 -2.666768 -0.565622
H -6.578261 -0.690022 0.781137
H -6.890666 -1.626206 -0.701440
H -0.904714 3.421894 -1.698645
H -0.081756 3.992590 -0.199329
H 0.659019 4.261160 -1.804584
H -0.042161 1.214208 -2.862105
H 1.652401 0.737245 -2.560366
H 1.280681 2.348673 -3.235524
H -0.822823 -1.161368 -0.980887
H 0.690471 -0.228992 2.220190
H 0.765994 1.086354 3.392260
H 0.233937 -3.328545 -1.506993
H 2.854295 1.604195 0.826161
H 2.689737 -3.681567 -1.107111
H 4.847105 -2.844457 -0.352315
H 5.248378 1.204113 1.168165
H 6.285647 -1.017936 0.588408


