%chk=000104033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104033

0 1
 O   -1.626000     -0.2468000      0.6178000    
 N   -7.420800       1.681800     -0.3398000    
 C   0.1205000      -2.163300     -0.5797000    
 C    3.687300       1.326000     -0.4514000    
 C   0.5523000     -0.7776000     -0.2299000    
 C    2.238700      0.8922000     -0.1615000    
 C  -0.4530000      -2.957600      0.6567000    
 C    1.864700     -0.3850000     -0.4926000    
 C    4.712600      0.3789000      0.2451000    
 C    1.224300      -3.066700      -1.228900    
 C   -1.025700      -2.113500      -1.643600    
 C  -0.3406000      0.1205000      0.3547000    
 C    3.923200       1.247800      -1.980600    
 C    3.997200       2.784900     -3.7500001E-02
 C    1.391300       1.803900      0.4139000    
 C   7.8900002E-02   1.411200      0.6767000    
 C   0.5134000      -3.084100       1.831000    
 C    4.581200      0.2797000       1.762300    
 C   -2.614700      0.7800000      0.5765000    
 C   -3.959000      0.1868000      0.1755000    
 C   -5.046900       1.256700      9.8499998E-02
 C   -6.398900      0.6443000     -0.2630000    
 H   -1.386000      -2.520700       1.025500    
 H  -0.7261000      -3.971800      0.3340000    
 H    2.581700      -1.054500     -0.9474000    
 H    5.731300      0.7180000      1.3700000E-02
 H    4.643900     -0.6357000     -0.1667000    
 H   0.8376000      -4.071500      -1.438100    
 H    2.096200      -3.189400     -0.5778000    
 H    1.567500      -2.653400      -2.185000    
 H  -0.7207000      -1.525800      -2.517900    
 H   -1.278600      -3.121400      -1.994800    
 H   -1.952200      -1.680600      -1.261800    
 H    3.837200      0.2267000      -2.367700    
 H    4.927200       1.602700      -2.242100    
 H    3.200300       1.867200      -2.525200    
 H    5.043700       3.034000     -0.2527000    
 H    3.846100       2.961600       1.032600    
 H    3.384600       3.505100     -0.5935000    
 H    1.664600       2.814400      0.6884000    
 H  -0.5728000       2.133000       1.160000    
 H   4.1099999E-02  -3.655000       2.637500    
 H   0.7873000      -2.106300       2.237400    
 H    1.428100      -3.612400       1.549200    
 H    4.733900       1.248600       2.245500    
 H    5.341000     -0.4048000       2.154100    
 H    3.603800     -0.1089000       2.062400    
 H   -2.691800       1.238900       1.569200    
 H   -2.360200       1.551100     -0.1626000    
 H   -3.862500     -0.3190000     -0.7927000    
 H   -4.238700     -0.5925000      0.8954000    
 H   -4.765900       2.009100     -0.6493000    
 H   -5.121500       1.773300       1.063700    
 H   -6.693300     -9.1899998E-02  0.4925000    
 H   -6.335100      0.1267000      -1.226500    
 H   -7.171000       2.357200      -1.061100    
 H   -8.303800       1.265300     -0.6321000    


%chk=000104033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104033

0 1
O -1.712607 -0.131009 -0.244558
N -7.677693 1.498037 0.675497
C 0.197827 -2.238075 -0.886730
C 3.932705 1.263595 -0.355660
C 0.610294 -0.776399 -0.573992
C 2.419144 0.945984 -0.314640
C -0.592843 -2.869441 0.315606
C 1.966094 -0.375575 -0.586066
C 4.704534 0.358090 0.668142
C 1.424641 -3.139467 -1.196013
C -0.717005 -2.260921 -2.151542
C -0.350454 0.243394 -0.263057
C 4.481925 0.958046 -1.783131
C 4.229568 2.754380 -0.048373
C 1.435148 1.910931 -0.013916
C 0.065591 1.565518 0.010931
C 0.149547 -2.871704 1.669753
C 4.284903 0.519249 2.145051
C -2.716193 0.894133 0.088739
C -4.088073 0.217349 0.031792
C -5.228610 1.196911 0.389225
C -6.618821 0.530907 0.325665
H -1.547067 -2.326631 0.427202
H -0.843775 -3.912337 0.030644
H 2.716457 -1.136329 -0.817664
H 5.787658 0.576379 0.563695
H 4.573549 -0.701904 0.372302
H 1.070895 -4.166573 -1.402445
H 2.137900 -3.194927 -0.354147
H 1.972592 -2.790453 -2.091084
H -0.178071 -1.859503 -3.029910
H -1.017843 -3.301699 -2.378946
H -1.626105 -1.659586 -1.993169
H 4.333512 -0.101724 -2.058368
H 5.566833 1.172625 -1.834136
H 3.969267 1.578578 -2.540874
H 5.322027 2.925325 -0.066090
H 3.857526 3.062390 0.944848
H 3.773620 3.418957 -0.805575
H 1.715926 2.945202 0.206014
H -0.668246 2.340825 0.248418
H -0.490575 -3.305283 2.460740
H 0.416756 -1.844309 1.977733
H 1.080734 -3.466817 1.635270
H 4.489808 1.537990 2.521148
H 4.840588 -0.189120 2.787009
H 3.205618 0.319745 2.273413
H -2.516351 1.298935 1.103235
H -2.656747 1.728915 -0.641490
H -4.242017 -0.195723 -0.984067
H -4.093852 -0.639951 0.732604
H -5.208559 2.062705 -0.307172
H -5.089144 1.605864 1.408512
H -6.653830 -0.294390 1.063087
H -6.743530 0.063514 -0.683205
H -7.745055 2.292656 0.031497
H -8.593224 1.080120 0.864549


