%chk=000032956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032956

0 1
 O   -1.102000      0.7457000      0.7806000    
 N   -3.873800      0.7297000      0.1480000    
 N   0.1624000       1.335600      0.6784000    
 C   -3.378000       1.107300       1.451000    
 C   -3.923900       1.887200     -0.7549000    
 C   -5.205800      0.1184000      0.2452000    
 C   -1.989800       1.711200       1.323900    
 C   0.9782000      0.4588000      0.1827000    
 C    2.392700      0.8291000     -3.0800000E-02
 C   0.5134000     -0.8837000     -0.2302000    
 C    3.452500      3.4400001E-02  0.4263000    
 C    1.153600      -2.058100      0.1874000    
 C   -4.369600       1.452100      -2.137700    
 C   -5.164600      -1.078300       1.175900    
 C    3.282400      -1.194000       1.210600    
 C    2.293900      -2.092100       1.109600    
 C    2.641400       2.036000     -0.7023000    
 C  -0.6134000     -0.9427000      -1.064800    
 C    4.765300      0.4825000      0.1998000    
 C   0.6258000      -3.290200     -0.2360000    
 C    3.950500       2.454600     -0.9289000    
 C   -1.111300      -2.173700      -1.485300    
 C    5.012600       1.678000     -0.4784000    
 C  -0.4925000      -3.347800      -1.070100    
 H   -3.263300      0.2327000       2.099800    
 H   -4.044700       1.818200       1.954800    
 H   -4.580400       2.679800     -0.3755000    
 H   -2.932400       2.319100     -0.9118000    
 H   -5.962300      0.8336000      0.5915000    
 H   -5.529400     -0.2711000     -0.7251000    
 H   -1.639700       1.951300       2.337100    
 H   -1.951100       2.652700      0.7672000    
 H   -3.826900      0.5651000      -2.483100    
 H   -5.445100       1.257400      -2.192000    
 H   -4.166800       2.254500      -2.856500    
 H   -4.324600      -1.744900      0.9508000    
 H   -5.122300     -0.7900000       2.231000    
 H   -6.082600      -1.665200       1.055300    
 H    4.071700      -1.399100       1.932100    
 H    2.345800      -2.967400       1.755000    
 H    1.823000       2.654800      -1.062200    
 H   -1.087600     -4.4100001E-02  -1.453600    
 H    5.616500     -9.7099997E-02  0.5526000    
 H    1.083900      -4.226000      7.9499997E-02
 H    4.140900       3.386200      -1.453300    
 H   -1.974800      -2.215500      -2.142500    
 H    6.034700       2.003800     -0.6477000    
 H  -0.8793000      -4.309900      -1.392900    


%chk=000032956-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032956

0 1
O -1.219979 0.540397 0.866393
N -4.120517 1.295311 0.103299
N 0.123621 1.011105 0.559459
C -3.461892 1.249954 1.431405
C -4.587290 2.663460 -0.246172
C -5.168772 0.252807 -0.059341
C -1.992675 1.685673 1.398780
C 0.953082 0.040050 0.190624
C 2.297059 0.562644 -0.206609
C 0.606741 -1.407300 0.058382
C 3.525170 -0.004150 0.267807
C 1.431539 -2.446415 0.602626
C -4.726121 2.887605 -1.763901
C -4.578328 -1.143091 -0.337241
C 3.623605 -1.205296 1.101322
C 2.731733 -2.238860 1.248683
C 2.340284 1.726131 -1.021402
C -0.606372 -1.759252 -0.595266
C 4.747887 0.651500 -0.069863
C 0.971256 -3.795727 0.514984
C 3.560443 2.342217 -1.362328
C -1.017750 -3.101302 -0.706937
C 4.775793 1.802876 -0.875773
C -0.229033 -4.128610 -0.135233
H -3.494393 0.215058 1.817373
H -3.998293 1.884125 2.182082
H -5.554284 2.909348 0.265163
H -3.841037 3.381697 0.143768
H -5.843616 0.209541 0.833697
H -5.805511 0.542519 -0.914796
H -1.625648 1.919856 2.418067
H -1.831281 2.563274 0.747012
H -3.760490 2.697866 -2.263794
H -5.480098 2.217611 -2.215289
H -5.037449 3.928258 -1.972954
H -4.000750 -1.125280 -1.278348
H -3.895420 -1.468936 0.467525
H -5.385129 -1.895025 -0.426568
H 4.588014 -1.321362 1.615757
H 3.068495 -3.083140 1.866742
H 1.392338 2.145484 -1.371134
H -1.239714 -0.963576 -0.995517
H 5.687411 0.229920 0.307624
H 1.591423 -4.587968 0.951493
H 3.565281 3.238123 -1.992618
H -1.957744 -3.342639 -1.215403
H 5.731496 2.276631 -1.125225
H -0.549881 -5.174213 -0.197854


