%chk=000027267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027267

0 1
 O  -0.1766000      -1.662500      -1.185100    
 N   5.5599999E-02   1.655700       1.483200    
 N   8.2900003E-02   1.866700     -0.9684000    
 C   -1.325600      7.3200002E-02  9.3699999E-02
 C    1.225900     -0.1004000      0.1121000    
 C  -0.1129000     -0.9118000      3.0700000E-02
 C   0.1360000       2.604300      0.3299000    
 C   -1.202600      0.8750000       1.427600    
 C   -1.172100       1.088900      -1.079400    
 C    1.189000      0.6992000       1.454200    
 C    1.211100      0.9113000      -1.074700    
 C   -2.631400     -0.6442000      4.0000002E-03
 C    2.428000     -0.9814000      3.1300001E-02
 C    1.427600       3.471900      0.4175000    
 C  -0.9994000       3.668800      0.4081000    
 C    1.462100       4.471400     -0.7077000    
 C   -2.970900      -1.595200      0.9654000    
 C    2.626600      -1.977700      0.9864000    
 C   -3.510200     -0.3627000      -1.041200    
 C    3.351300     -0.8074000     -0.9989000    
 C   -4.191200      -2.265600      0.8817000    
 C    3.749800      -2.801200      0.9112000    
 C   -4.730600      -1.033200      -1.125000    
 C    4.474700      -1.630700      -1.074100    
 C   -5.071100      -1.984700     -0.1635000    
 C    4.674000      -2.627800     -0.1191000    
 H  -0.1596000      -1.636700      0.8526000    
 H   -2.075900       1.517200       1.584500    
 H   -1.222500      0.1959000       2.291300    
 H   -1.172600      0.5871000      -2.057100    
 H   -2.002600       1.803600      -1.113400    
 H    1.095700      2.0800000E-02   2.313200    
 H    2.138300       1.218600       1.628100    
 H    2.133600       1.497500      -1.131200    
 H    1.134000      0.4003000      -2.045000    
 H    2.349900       2.885800      0.3811000    
 H    1.464200       4.006300       1.376500    
 H  -0.8529000       4.350400       1.255000    
 H   -1.074800       4.265800     -0.5077000    
 H   -1.998500       3.243100      0.5328000    
 H  -0.9319000      -2.270700      -1.121700    
 H    1.278600       4.032900      -1.692600    
 H   0.7746000       5.308800     -0.5558000    
 H    2.461200       4.922100     -0.7509000    
 H   -2.304300      -1.833300       1.789300    
 H    1.923100      -2.133800       1.799200    
 H   -3.320700      0.3522000      -1.832000    
 H    3.269600     -6.9899999E-02  -1.787400    
 H   -4.456400      -3.006700       1.630100    
 H    3.905100      -3.577500       1.654700    
 H   -5.415800     -0.8169000      -1.939600    
 H    5.193800      -1.498700      -1.877500    
 H   -6.020900      -2.507100     -0.2290000    
 H    5.548300      -3.269400     -0.1781000    


%chk=000027267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027267

0 1
O -0.130061 -1.552991 -1.362566
N 0.061707 1.698112 1.477037
N 0.063059 1.979719 -0.986265
C -1.345762 0.143331 0.036770
C 1.214774 -0.047600 0.010629
C -0.124833 -0.835702 -0.078905
C 0.122313 2.716014 0.336911
C -1.200007 0.902809 1.410530
C -1.207197 1.200384 -1.108159
C 1.195362 0.729360 1.384321
C 1.206292 1.024523 -1.131371
C -2.657099 -0.648300 -0.016166
C 2.416939 -0.997227 -0.033151
C 1.437278 3.546247 0.453468
C -1.053384 3.713436 0.455017
C 1.617093 4.609684 -0.652109
C -2.967545 -1.578508 1.017046
C 2.584212 -1.979511 0.981519
C -3.587507 -0.512017 -1.081967
C 3.400520 -0.927306 -1.052661
C -4.160645 -2.330650 0.993099
C 3.689815 -2.855455 0.979619
C -4.784258 -1.264401 -1.108991
C 4.511053 -1.801208 -1.058453
C -5.078409 -2.176642 -0.072027
C 4.663689 -2.769462 -0.042024
H -0.176760 -1.569415 0.756711
H -2.076657 1.549850 1.575972
H -1.178565 0.177470 2.246600
H -1.185368 0.687373 -2.087043
H -2.065968 1.892325 -1.108037
H 1.092435 0.015575 2.223755
H 2.157791 1.245257 1.529305
H 2.153700 1.588669 -1.142974
H 1.101141 0.521626 -2.108683
H 2.324347 2.891188 0.441682
H 1.423841 4.022790 1.451734
H -0.916208 4.328952 1.360201
H -1.062936 4.371175 -0.428837
H -2.044001 3.240178 0.523061
H -0.966811 -2.082045 -1.417947
H 1.491274 4.154559 -1.650474
H 0.887207 5.432708 -0.561065
H 2.626890 5.055346 -0.593306
H -2.272625 -1.719490 1.853557
H 1.840812 -2.072691 1.783068
H -3.385592 0.184766 -1.901197
H 3.300500 -0.199134 -1.862921
H -4.375386 -3.036770 1.803265
H 3.792531 -3.604352 1.773529
H -5.484689 -1.138580 -1.942534
H 5.254181 -1.728926 -1.860957
H -6.005868 -2.759354 -0.092771
H 5.523986 -3.448089 -0.045545


