%chk=000053389.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053389

0 1
 N   -2.525300      0.3117000     -0.1168000    
 N   -5.370800      1.1200000E-02 -0.5596000    
 N    1.652200      0.4339000      0.9444000    
 C   -4.817400       1.227700      4.8900001E-02
 C   -4.388900     -0.6132000      -1.455500    
 C   -3.504000      0.9267000      0.7898000    
 C   -3.075700     -0.9126000     -0.7135000    
 C   -1.274200      2.9700000E-02  0.5846000    
 C  -0.6554000       1.324200       1.107600    
 C   0.6658000       1.050000       1.825500    
 C   -5.851400       1.820400       1.005000    
 C   -4.986400      -1.896000      -2.031700    
 C    2.547900       1.134600      0.1813000    
 C    1.799800     -0.9174000      0.7768000    
 C    3.310900      0.1954000     -0.5133000    
 C    2.838000      -1.101700     -0.1367000    
 C    2.743100       2.514300      5.0400000E-02
 C    1.103100      -1.984000       1.356300    
 C    4.320700      0.6574000      -1.383300    
 C    3.199300      -2.418800     -0.4904000    
 C    3.749400       2.947200     -0.8171000    
 C    1.479700      -3.279200      0.9907000    
 C    4.527700       2.034200      -1.524400    
 C    2.512000      -3.495700      8.0899999E-02
 H   -4.631000       1.966200     -0.7424000    
 H   -4.188500      6.8499997E-02  -2.292700    
 H   -3.152200       1.892400       1.163700    
 H   -3.694000      0.2809000       1.658300    
 H   -3.241900      -1.678300      5.7200000E-02
 H   -2.356000      -1.325900      -1.431400    
 H   -1.449900     -0.6709000       1.408400    
 H  -0.6059000     -0.4336000     -0.1451000    
 H   -5.621300     -0.6491000      0.1771000    
 H   -1.292400       1.819800       1.845400    
 H  -0.4959000       2.027600      0.2808000    
 H   0.5195000      0.3931000       2.690000    
 H    1.091100       1.980000       2.217600    
 H   -6.087100       1.130900       1.823600    
 H   -5.480200       2.751500       1.446500    
 H   -6.784100       2.051800      0.4787000    
 H   -4.287300      -2.366200      -2.731700    
 H   -5.215200      -2.624200      -1.245400    
 H   -5.912600      -1.685900      -2.578200    
 H    2.140500       3.235900      0.5914000    
 H   0.3189000      -1.838700       2.089900    
 H    4.936100     -4.2300001E-02  -1.942000    
 H    4.002600      -2.603900      -1.198000    
 H    3.925400       4.012500     -0.9420000    
 H   0.9633000      -4.129500       1.428600    
 H    5.304700       2.393300      -2.194100    
 H    2.789200      -4.511500     -0.1879000    


%chk=000053389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053389

0 1
N -2.666511 0.354353 0.081432
N -5.467825 0.263135 -0.744916
N 1.709428 0.322747 0.992256
C -4.969692 1.319199 0.177348
C -4.390852 -0.312999 -1.596896
C -3.729766 0.852726 0.987720
C -3.164685 -0.763986 -0.759562
C -1.403191 0.026193 0.781381
C -0.624157 1.282275 1.226329
C 0.731944 0.947088 1.894718
C -6.108881 1.782028 1.099596
C -4.957071 -1.463632 -2.443708
C 2.504585 1.020329 0.061177
C 2.035454 -1.047730 0.923243
C 3.361734 0.084597 -0.617017
C 3.063889 -1.232282 -0.067728
C 2.541228 2.402957 -0.224501
C 1.511227 -2.135363 1.656406
C 4.265152 0.553167 -1.598765
C 3.567834 -2.529840 -0.316162
C 3.454233 2.845879 -1.206209
C 2.034647 -3.419943 1.392694
C 4.307169 1.933655 -1.888968
C 3.051725 -3.619373 0.417302
H -4.640957 2.166991 -0.456551
H -4.045248 0.500218 -2.266250
H -3.337595 1.704302 1.573469
H -4.050378 0.057792 1.717033
H -3.462361 -1.652804 -0.138157
H -2.347087 -1.083219 -1.433103
H -1.582913 -0.635077 1.671696
H -0.769669 -0.550263 0.081533
H -5.949332 -0.483229 -0.214987
H -1.216804 1.869486 1.955117
H -0.465962 1.926952 0.342262
H 0.572738 0.266180 2.751231
H 1.180261 1.873220 2.302951
H -6.454388 0.954811 1.750971
H -5.783416 2.612450 1.752052
H -6.967147 2.124980 0.496563
H -4.191065 -1.867875 -3.129807
H -5.309906 -2.295890 -1.802661
H -5.812349 -1.106466 -3.042787
H 1.886799 3.115548 0.288123
H 0.722399 -2.000850 2.403733
H 4.926018 -0.143576 -2.126620
H 4.350577 -2.688773 -1.066397
H 3.504027 3.913389 -1.449121
H 1.646558 -4.280556 1.949299
H 5.001520 2.311302 -2.647281
H 3.433961 -4.629822 0.236720


