%chk=000050713.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050713

0 1
 O   0.2791000      -1.544300      0.8286000    
 O    1.219900      -2.529200      -1.027200    
 N   -2.309200     -0.5126000      0.4328000    
 N    5.468800       2.015800      0.6206000    
 C   -2.899200      0.3442000     -0.5972000    
 C   -1.814900       1.003300      -1.473200    
 C   -3.775500       1.428000      6.0699999E-02
 C   -1.922800      -1.797400     -0.1275000    
 C  -0.8551000       1.903200     -0.6885000    
 C   -5.145100      0.9071000      0.5090000    
 C  -0.8365000      -2.422800      0.7482000    
 C   -3.146400      -2.705900     -0.2506000    
 C   0.1762000       2.545000      -1.604700    
 C   -5.964500       2.002800       1.174000    
 C    1.237400      -1.706800     -0.1246000    
 C    2.342900     -0.7350000      7.0299998E-02
 C    3.431600     -0.7327000     -0.8018000    
 C    2.292700      0.1761000       1.125300    
 C    4.469900      0.1805000     -0.6189000    
 C    3.330900       1.089300       1.308300    
 C    4.419500       1.091500      0.4362000    
 H   -3.552500     -0.2243000      -1.269300    
 H   -1.237100      0.2438000      -2.012100    
 H   -2.307900       1.602900      -2.250100    
 H   -3.944300       2.245100     -0.6530000    
 H   -3.258100       1.870600      0.9220000    
 H   -2.957600     -0.6541000       1.205400    
 H   -1.488200      -1.676600      -1.125700    
 H   -1.403300       2.704200     -0.1818000    
 H  -0.3350000       1.327700      8.2999997E-02
 H   -5.028700      7.7399999E-02   1.214500    
 H   -5.695900      0.5210000     -0.3565000    
 H  -0.5433000      -3.413200      0.3779000    
 H   -1.204400      -2.573900       1.770300    
 H   -3.897500      -2.312000     -0.9413000    
 H   -2.848900      -3.690500     -0.6287000    
 H   -3.628900      -2.861500      0.7212000    
 H  -0.3066000       3.164100      -2.367500    
 H   0.8519000       3.182900      -1.026200    
 H   0.7792000       1.783500      -2.109400    
 H   -6.134100       2.837900      0.4869000    
 H   -5.456400       2.387200       2.064100    
 H   -6.939800       1.612600       1.481400    
 H    3.489300      -1.434000      -1.630000    
 H    1.464600      0.2099000       1.827400    
 H    5.312700      0.1726000      -1.305400    
 H    3.280200       1.794900       2.133600    
 H    5.433500       2.675500       1.386400    
 H    6.259100       2.016900     -1.0300000E-02


%chk=000050713-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050713

0 1
O 0.333291 -1.434660 0.984170
O 1.113364 -2.515518 -0.936475
N -2.479817 -0.469105 0.390467
N 5.819684 1.816517 0.289380
C -3.001366 0.457248 -0.649454
C -1.832796 1.192462 -1.364586
C -4.003803 1.447927 -0.003673
C -1.933286 -1.765953 -0.064728
C -0.983452 2.100551 -0.447678
C -5.370966 0.823048 0.362826
C -0.876647 -2.292012 0.929198
C -3.021364 -2.858027 -0.273114
C 0.259944 2.665596 -1.167449
C -6.348014 1.849349 0.976576
C 1.271959 -1.641163 -0.040217
C 2.432272 -0.731598 0.077116
C 3.485546 -0.845821 -0.870899
C 2.532065 0.254582 1.096527
C 4.607263 -0.007684 -0.807000
C 3.649884 1.098326 1.170027
C 4.709420 0.981900 0.218680
H -3.563640 -0.105961 -1.440357
H -1.162845 0.439705 -1.829188
H -2.255748 1.786273 -2.202522
H -4.175495 2.283180 -0.711739
H -3.540574 1.890724 0.901091
H -3.139581 -0.591257 1.170374
H -1.422975 -1.596922 -1.029668
H -1.601846 2.940210 -0.071537
H -0.677525 1.504247 0.432701
H -5.232222 -0.015957 1.075887
H -5.821372 0.379368 -0.548746
H -0.571721 -3.316931 0.649313
H -1.262272 -2.272634 1.963027
H -3.830107 -2.467979 -0.917528
H -2.606577 -3.763050 -0.754318
H -3.471645 -3.157696 0.693927
H -0.024132 3.248851 -2.065042
H 0.843625 3.329893 -0.502810
H 0.931766 1.849152 -1.493028
H -6.541917 2.679795 0.271611
H -5.931641 2.288365 1.902881
H -7.319422 1.385308 1.228188
H 3.399560 -1.606613 -1.654156
H 1.719650 0.345832 1.823069
H 5.412627 -0.108118 -1.544803
H 3.714013 1.855626 1.960920
H 5.896137 2.522754 1.015793
H 6.574397 1.738574 -0.386432


