%chk=000119590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119590

0 1
 O  -0.4789000     -0.9192000      0.4517000    
 N   -3.973100      -1.717000     -0.3762000    
 C    1.899200     -0.2825000      0.6783000    
 C    2.463500      -1.611600      4.9800001E-02
 C    2.373000      -1.021500      -1.376500    
 C   0.5280000     -5.0900001E-02 -9.2100002E-02
 C   0.8855000     -0.6022000      -1.509900    
 C    2.924600      0.7645000      0.1489000    
 C    3.203700      0.2776000      -1.282600    
 C    1.807700     -0.2885000       2.197600    
 C    3.901500      -1.991700      0.4767000    
 C    1.634800      -2.895600      0.2554000    
 C  -3.8199998E-02   1.367200     -2.9000000E-03
 C   -1.693800     -0.8302000     -0.2797000    
 C  -0.2187000       2.119800      -1.162800    
 C  -0.3726000       1.906800       1.238700    
 C   -2.703900      -1.787300      0.3324000    
 C  -0.7339000       3.413700      -1.081200    
 C  -0.8891000       3.200000       1.320200    
 C   -1.069600       3.953600      0.1603000    
 C   -4.507600     -0.3534000     -0.3480000    
 C   -4.942000      -2.651500      0.2019000    
 H    2.703200      -1.684400      -2.180300    
 H   0.7973000      7.5499997E-02  -2.355800    
 H   0.3269000      -1.501200      -1.787300    
 H    3.844100      0.7775000      0.7444000    
 H    2.547700       1.791300      0.1570000    
 H    2.904700       1.019800      -2.030200    
 H    4.271900      8.1900001E-02  -1.424100    
 H    1.704200      0.7206000       2.604400    
 H   0.9766000     -0.9017000       2.558400    
 H    2.722400     -0.6927000       2.644200    
 H    4.292400      -2.784000     -0.1731000    
 H    4.626400      -1.176900      0.4358000    
 H    3.913900      -2.373500       1.503900    
 H   0.6344000      -2.880200     -0.1759000    
 H    2.136000      -3.751800     -0.2125000    
 H    1.529200      -3.119500       1.322700    
 H   -2.085700      0.1833000     -0.1974000    
 H   -1.574000      -1.071500      -1.339700    
 H   8.3999997E-03   1.769800      -2.159100    
 H  -0.2976000       1.329600       2.152800    
 H   -2.293700      -2.804100      0.2769000    
 H   -2.819500      -1.566000       1.402300    
 H  -0.8774000       4.000400      -1.983900    
 H   -1.162800       3.615900       2.285500    
 H   -1.474800       4.959200      0.2237000    
 H   -3.964700      0.3127000      -1.025900    
 H   -4.515000      7.5199999E-02  0.6608000    
 H   -5.540500     -0.3415000     -0.7183000    
 H   -5.175200      -2.411400       1.245700    
 H   -4.558300      -3.677000      0.1608000    
 H   -5.875200      -2.644200     -0.3722000    


%chk=000119590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119590

0 1
O -0.522595 -0.842973 0.378631
N -4.088268 -1.855450 -0.111775
C 1.871527 -0.300495 0.631350
C 2.440320 -1.626862 -0.050209
C 2.442474 -0.987091 -1.482191
C 0.552960 0.002176 -0.222088
C 0.967349 -0.520169 -1.649802
C 2.941019 0.745248 0.160140
C 3.319973 0.284832 -1.292395
C 1.664695 -0.328613 2.147604
C 3.854167 -2.022986 0.455083
C 1.572964 -2.903550 0.077615
C 0.084653 1.471159 -0.135871
C -1.802456 -0.857116 -0.345730
C 0.389053 2.454686 -1.111658
C -0.672490 1.877099 0.998094
C -2.788417 -1.614810 0.557304
C -0.045880 3.792283 -0.964892
C -1.106707 3.210600 1.150479
C -0.796071 4.178966 0.167612
C -4.895995 -0.628046 -0.270507
C -4.857952 -2.934423 0.540285
H 2.781045 -1.655401 -2.293537
H 0.862352 0.236586 -2.444628
H 0.324200 -1.370984 -1.933027
H 3.812095 0.709617 0.838305
H 2.553176 1.775791 0.195817
H 3.092910 1.054343 -2.053121
H 4.395840 0.051939 -1.380437
H 1.388721 0.670345 2.532596
H 0.865800 -1.035352 2.428330
H 2.599893 -0.629870 2.656131
H 4.254017 -2.845617 -0.168110
H 4.590207 -1.203286 0.434666
H 3.799232 -2.397687 1.494563
H 0.542985 -2.768876 -0.278146
H 2.045124 -3.730517 -0.488142
H 1.509073 -3.218629 1.136184
H -2.138341 0.180408 -0.543533
H -1.713856 -1.390354 -1.314439
H 0.974195 2.190290 -1.998593
H -0.932689 1.123311 1.748442
H -2.335438 -2.593627 0.800901
H -2.902454 -1.057268 1.522247
H 0.202787 4.529914 -1.736666
H -1.690133 3.493574 2.034365
H -1.134728 5.214956 0.280982
H -4.346130 0.122848 -0.862532
H -5.175907 -0.159050 0.708163
H -5.827179 -0.868444 -0.813945
H -5.160742 -2.695111 1.592149
H -4.257567 -3.861219 0.560254
H -5.777410 -3.135897 -0.038718


