%chk=000053090.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053090

0 1
 N    2.111400     -0.4684000     -0.2955000    
 N   0.7995000     -0.1373000      0.1313000    
 N    3.200600       2.920000      -1.449500    
 N    1.680500      -4.177600     -0.5298000    
 C    2.708400      0.5364000      -1.190000    
 C    2.215700      -1.815000     -0.8801000    
 C   0.4338000      0.1862000       1.418500    
 C  -0.9390000      0.4418000       1.403700    
 C   -1.383200      0.2606000      6.4000003E-02
 C  -0.2916000     -9.4899997E-02 -0.6944000    
 C    2.593000       1.926200     -0.5712000    
 C    1.593100      -2.845200      5.7500001E-02
 C    1.205300      0.2710000       2.583000    
 C   -2.696600      0.3982000     -0.4972000    
 C   -1.575300      0.7999000       2.608900    
 C   0.5526000      0.6279000       3.766400    
 C  -0.8162000      0.8888000       3.781400    
 C    3.019600       4.266900     -0.9061000    
 C    4.623800       2.636300      -1.640900    
 C   0.9485000      -4.230900      -1.796200    
 C    1.163700      -5.184400      0.3985000    
 C   -3.556000     -0.7003000     -0.5409000    
 C   -3.115700       1.630600      -1.000000    
 C   -4.832700     -0.5666000      -1.086800    
 C   -4.392500       1.764200      -1.545700    
 C   -5.250900      0.6655000      -1.589000    
 H    2.227700      0.5226000      -2.177200    
 H    3.756300      0.2503000      -1.323700    
 H    3.273200      -2.062800      -1.038100    
 H    1.730700      -1.803400      -1.861500    
 H  -0.2078000     -0.3161000      -1.751200    
 H    3.059200       1.943000      0.4234000    
 H    1.540000       2.202000     -0.4455000    
 H   0.5442000      -2.625800      0.2877000    
 H    2.142300      -2.828700       1.008400    
 H    2.271200      6.8899997E-02   2.577700    
 H   -2.641400       1.006400       2.637600    
 H    1.122900      0.7029000       4.688800    
 H   -1.301500       1.164600       4.713900    
 H    3.428700       5.017700      -1.591400    
 H    3.505300       4.387900      6.9100000E-02
 H    1.954400       4.497800     -0.7925000    
 H    4.785500       1.769200      -2.288300    
 H    5.153800       2.486600     -0.6931000    
 H    5.110900       3.468800      -2.163700    
 H    1.477500      -3.708000      -2.598400    
 H  -6.9300003E-02  -3.832500      -1.711400    
 H   0.8684000      -5.267500      -2.146400    
 H   0.1029000      -5.030400      0.6278000    
 H    1.726300      -5.166600       1.338700    
 H    1.284600      -6.190900     -1.7600000E-02
 H   -3.245900      -1.668100     -0.1535000    
 H   -2.459200       2.497300     -0.9736000    
 H   -5.501200      -1.421900      -1.120600    
 H   -4.718400       2.723500      -1.936700    
 H   -6.245000      0.7696000      -2.013800    


%chk=000053090-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053090

0 1
N 2.051381 -0.461495 -0.385374
N 0.718348 -0.128136 0.007010
N 3.340710 3.035045 -1.232978
N 1.826298 -4.265281 -0.698579
C 2.678614 0.624394 -1.199465
C 2.124916 -1.809381 -1.028211
C 0.321454 0.036712 1.342503
C -1.087387 0.333065 1.336847
C -1.528089 0.337374 -0.057657
C -0.393873 0.058554 -0.830628
C 2.802160 1.935876 -0.399192
C 1.733765 -2.933702 -0.049459
C 1.089229 -0.037907 2.523093
C -2.882753 0.582189 -0.591059
C -1.724635 0.592779 2.581450
C 0.423189 0.204226 3.740564
C -0.967464 0.524219 3.767034
C 3.026090 4.367427 -0.676088
C 4.781032 2.893821 -1.529205
C 0.670251 -4.561974 -1.572458
C 2.055905 -5.352307 0.276666
C -4.046039 0.181190 0.126096
C -3.064423 1.215487 -1.854448
C -5.336706 0.404762 -0.399440
C -4.353678 1.430212 -2.384198
C -5.500060 1.029897 -1.657475
H 2.119038 0.835514 -2.139284
H 3.677753 0.247783 -1.482314
H 3.174166 -1.964802 -1.333246
H 1.501115 -1.857778 -1.950688
H -0.311873 -0.056380 -1.909892
H 3.419022 1.748615 0.516177
H 1.794713 2.233027 -0.055589
H 0.714849 -2.742865 0.368139
H 2.440293 -2.905953 0.799998
H 2.156995 -0.270643 2.477496
H -2.784731 0.862655 2.622187
H 0.981807 0.155158 4.682105
H -1.451549 0.724186 4.729608
H 3.359757 5.151251 -1.379980
H 3.512458 4.564470 0.313066
H 1.934304 4.468128 -0.545662
H 4.978034 1.946622 -2.060463
H 5.421852 2.915681 -0.610250
H 5.102764 3.718122 -2.190400
H 0.556405 -3.781171 -2.343791
H -0.295279 -4.632392 -1.009648
H 0.837165 -5.523093 -2.091029
H 1.211359 -5.490318 0.998696
H 2.972967 -5.147185 0.856722
H 2.199534 -6.306412 -0.262165
H -3.935294 -0.343602 1.080876
H -2.184688 1.562947 -2.409366
H -6.216247 0.081783 0.169484
H -4.466291 1.922475 -3.357119
H -6.502530 1.203434 -2.064213


