%chk=000099694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099694

0 1
 O   0.2370000      -2.849600       1.839300    
 N    2.928600     -0.4224000      0.2100000    
 C  -0.8608000      -1.283200      0.2933000    
 C   -1.796900      -1.967700     -0.7921000    
 C   0.6102000      -1.105200     -0.2207000    
 C    1.599600     -0.5437000      0.8087000    
 C   -1.340500      0.1043000      0.7886000    
 C    2.897100      0.5083000     -0.9268000    
 C    3.909700      3.3000000E-03   1.218100    
 C   -1.246100      -3.342300      -1.267100    
 C    4.269100      0.6093000      -1.595200    
 C    5.314800      8.7600000E-02  0.6198000    
 C    5.346200       1.009900     -0.5935000    
 C   -3.255900      -2.145400     -0.3234000    
 C  -0.7840000      -2.273000       1.473400    
 C   -1.482300       1.146600     -0.1013000    
 C   -1.598100      0.1920000       2.133600    
 C   -2.119600      -4.008300      -2.324400    
 C   -1.924100       2.388500      0.4139000    
 C   -2.033000       1.413200       2.640000    
 C   -1.211400       1.030000      -1.474400    
 C   -2.195400       2.505200       1.787000    
 C   -2.082100       3.477100     -0.4592000    
 C   -1.373600       2.122100      -2.327200    
 C   -1.808200       3.343400      -1.820600    
 H   -1.876500      -1.370300      -1.696500    
 H    1.007200      -2.093900     -0.4891000    
 H   0.6299000     -0.5641000      -1.153000    
 H    1.682200      -1.181300       1.689800    
 H    1.269800      0.4396000       1.164600    
 H    2.238800      0.1807000      -1.732700    
 H    2.564800       1.505900     -0.6109000    
 H    3.633500      0.9760000       1.646100    
 H    3.935700     -0.7198000       2.042500    
 H   -1.133200      -4.035300     -0.4264000    
 H  -0.2570000      -3.209000      -1.716200    
 H    4.531500     -0.3562000      -2.046600    
 H    4.232700       1.342900      -2.408700    
 H    6.018800      0.4498000       1.377600    
 H    5.649600     -0.9152000      0.3254000    
 H    6.333100      0.9749000      -1.067600    
 H    5.179200       2.045000     -0.2709000    
 H   -3.646400      -1.227500      0.1262000    
 H   -3.915800      -2.375500      -1.166500    
 H   -3.355400      -2.953600      0.4078000    
 H   -1.741600      -2.517500       1.967300    
 H   -1.477900     -0.5967000       2.863600    
 H   -1.604900      -4.884700      -2.732500    
 H   -3.068000      -4.358200      -1.906300    
 H   -2.329300      -3.325700      -3.153900    
 H   -2.241800       1.519700       3.700700    
 H  -0.8687000      0.1516000      -1.991000    
 H   -2.535100       3.450600       2.205000    
 H   -2.420600       4.441100     -8.5100003E-02
 H   -1.160000       2.021300      -3.387600    
 H   -1.933900       4.193300      -2.485100    


%chk=000099694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099694

0 1
O 0.171695 -2.953588 1.939493
N 2.989618 -0.284257 0.119412
C -0.789083 -1.318604 0.325242
C -1.741846 -2.016861 -0.771427
C 0.676291 -1.188222 -0.208777
C 1.602395 -0.298851 0.651262
C -1.362435 0.043443 0.809609
C 3.144821 0.618633 -1.049641
C 3.995002 0.023775 1.168799
C -1.277658 -3.462014 -1.119236
C 4.550442 0.489968 -1.671134
C 5.430178 -0.124320 0.623299
C 5.642317 0.776418 -0.615374
C -3.243887 -1.986041 -0.389738
C -0.814983 -2.318388 1.498926
C -1.645975 1.161713 -0.079798
C -1.592959 0.226605 2.184444
C -1.971404 -4.040012 -2.373163
C -2.223182 2.378170 0.476262
C -2.143613 1.425754 2.726938
C -1.362759 1.168131 -1.490508
C -2.473294 2.481337 1.883311
C -2.524325 3.488074 -0.381752
C -1.655564 2.267889 -2.300571
C -2.254583 3.440483 -1.748603
H -1.628413 -1.420842 -1.696400
H 1.140568 -2.189106 -0.228952
H 0.658109 -0.816882 -1.249533
H 1.635263 -0.721744 1.672117
H 1.187558 0.735454 0.734547
H 2.378186 0.364095 -1.804133
H 2.970030 1.688458 -0.752028
H 3.862815 1.066585 1.566557
H 3.837334 -0.673783 2.012182
H -1.464044 -4.136566 -0.259152
H -0.185037 -3.470489 -1.287789
H 4.673578 -0.538592 -2.062086
H 4.641073 1.188900 -2.525443
H 6.155286 0.129472 1.420766
H 5.594326 -1.182790 0.342847
H 6.649944 0.616939 -1.044397
H 5.585367 1.841961 -0.309142
H -3.562215 -0.982878 -0.059222
H -3.863855 -2.258520 -1.261700
H -3.480802 -2.704562 0.417257
H -1.831890 -2.506695 1.925151
H -1.334874 -0.568295 2.892360
H -1.549771 -5.028975 -2.629552
H -3.057811 -4.171248 -2.223105
H -1.828061 -3.376922 -3.247947
H -2.304150 1.502420 3.807625
H -0.884148 0.303693 -1.951361
H -2.908791 3.406008 2.279785
H -2.966207 4.386376 0.066128
H -1.417400 2.232196 -3.369429
H -2.486173 4.294997 -2.393423


