%chk=000167963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167963

0 1
 O   -1.699100      0.8842000      -1.223900    
 N    2.594100      0.7956000       1.234100    
 C   -2.350500       1.799800     -0.3156000    
 C   -3.601300       1.076500      0.1975000    
 C   0.3237000      0.9711000      0.1180000    
 C  -0.4052000      0.5131000     -0.9820000    
 C    1.647300      0.5236000      0.2706000    
 C   -1.527800       2.266500      0.8642000    
 C    2.242000     -0.3557000     -0.6393000    
 C   -2.764700       3.015200      -1.153600    
 C  -0.2672000       1.881500       1.076900    
 C   0.1672000     -0.3636000      -1.901000    
 C   -3.224700     -0.1556000       1.011000    
 C    3.578500     -0.6046000     -0.1917000    
 C    1.485400     -0.8041000      -1.742400    
 C    3.767400      0.1271000      0.9791000    
 C  -0.6104000     -0.8557000      -3.080100    
 C   -4.453700     -0.8655000       1.504200    
 C    4.646500      -1.388200     -0.6774000    
 C    4.971100      0.1168000       1.693100    
 C    5.856800      -1.408900      2.4800001E-02
 C    6.014300     -0.6669000       1.192800    
 C   -5.181400      -1.797000      0.8595000    
 C   -4.802700      -2.234100     -0.5304000    
 C   -6.405500      -2.471000       1.411400    
 H   -4.215500       1.753400      0.8070000    
 H   -4.219800      0.7695000     -0.6566000    
 H   -1.991100       2.951200       1.570800    
 H   -1.884200       3.521600      -1.567300    
 H   -3.374200       2.708900      -2.011900    
 H   -3.336200       3.743600     -0.5679000    
 H   0.2920000       2.236500       1.933000    
 H   -2.640900      0.1183000       1.897700    
 H   -2.591900     -0.8463000      0.4447000    
 H    1.932900      -1.488000      -2.458900    
 H    2.448800       1.405400       2.026400    
 H  -2.4200000E-02  -1.541000      -3.701600    
 H   -1.502900      -1.396900      -2.748000    
 H  -0.9132000     -1.5400000E-02  -3.713700    
 H   -4.782000     -0.5700000       2.499800    
 H    4.538700      -1.972700      -1.586700    
 H    5.094300      0.6949000       2.602800    
 H    6.681500      -2.011300     -0.3464000    
 H    6.962300     -0.6966000       1.723900    
 H   -5.655900      -2.103400      -1.205400    
 H   -3.967700      -1.686200     -0.9720000    
 H   -4.533100      -3.295600     -0.5255000    
 H   -6.255800      -3.554400       1.458800    
 H   -6.637100      -2.120600       2.422600    
 H   -7.274300      -2.264100      0.7783000    


%chk=000167963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167963

0 1
O -1.581939 0.344777 -0.794755
N 2.937822 0.846393 1.261568
C -2.206422 1.476995 -0.003814
C -3.684767 1.056867 0.158037
C 0.557670 0.696244 0.357471
C -0.185199 0.197226 -0.751585
C 1.955055 0.463615 0.333440
C -1.489744 1.644993 1.328514
C 2.590607 -0.256064 -0.730790
C -2.076888 2.759569 -0.859357
C -0.171068 1.323529 1.460181
C 0.405933 -0.541046 -1.821053
C -3.886569 -0.256218 0.956478
C 4.015875 -0.303390 -0.422324
C 1.801298 -0.756486 -1.793674
C 4.196951 0.392260 0.824555
C -0.463539 -1.068289 -2.944650
C -5.352622 -0.589650 1.140049
C 5.143703 -0.859613 -1.070200
C 5.463518 0.539747 1.425060
C 6.416780 -0.716947 -0.476205
C 6.573522 -0.024824 0.756961
C -6.023460 -1.701764 0.719658
C -5.392640 -2.858133 -0.036749
C -7.510350 -1.865966 0.998091
H -4.221800 1.889625 0.656548
H -4.127684 0.944563 -0.849406
H -2.061519 2.080350 2.156190
H -1.014394 2.995955 -1.043746
H -2.586578 2.624313 -1.830125
H -2.533891 3.619277 -0.335766
H 0.342960 1.493079 2.414701
H -3.406319 -0.143882 1.951644
H -3.341718 -1.065191 0.441756
H 2.268805 -1.312838 -2.614148
H 2.774727 1.393794 2.102642
H 0.148346 -1.575279 -3.710298
H -1.215656 -1.787142 -2.569515
H -1.030108 -0.253051 -3.431189
H -5.935346 0.176100 1.679261
H 5.034230 -1.394626 -2.020211
H 5.591434 1.070438 2.375107
H 7.297615 -1.143537 -0.968315
H 7.572254 0.072147 1.197382
H -5.929061 -3.037808 -0.989796
H -4.329075 -2.693109 -0.271719
H -5.470031 -3.795766 0.549551
H -7.705913 -2.785434 1.585677
H -7.921136 -1.007816 1.558256
H -8.083072 -1.967089 0.054317


