%chk=000058088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058088

0 1
 O    2.828700       2.502300       1.257800    
 O    3.035700       2.646000     -0.9918000    
 N  -0.4782000     -0.8776000     -6.7100003E-02
 N   -4.369100      0.3764000     -0.1724000    
 N   -3.118400     -0.1303000     -0.1425000    
 C    1.860200     -0.2975000     -1.1700000E-02
 C   0.8164000      -1.246300     -3.1700000E-02
 C    1.517200       1.061100     -2.9700000E-02
 C   0.1842000       1.444100     -6.6200003E-02
 C  -0.7667000      0.4439000     -8.3499998E-02
 C    3.200600     -0.7178000      2.5300000E-02
 C    1.157600      -2.595800     -1.3700000E-02
 C    3.513200      -2.074000      4.2599998E-02
 C    2.490200      -3.013900      2.3000000E-02
 C    2.515900       2.125600     -1.1700000E-02
 C   -2.180300      0.7773000     -0.1217000    
 C   -5.415500     -0.5040000      0.3188000    
 C   -6.791800      8.0300003E-02  7.6200001E-02
 H  -9.7900003E-02   2.492300     -8.0700003E-02
 H    4.021800     -5.5000000E-03  4.1099999E-02
 H   0.3747000      -3.351800     -2.8300000E-02
 H    4.550000      -2.395300      7.1199998E-02
 H    2.725000      -4.074200      3.6200002E-02
 H   -2.430200       1.855700     -0.1368000    
 H   -5.352400      -1.474400     -0.1876000    
 H   -5.278500     -0.6835000       1.391300    
 H   -4.428500       1.289800      0.2767000    
 H   -6.913100       1.037900      0.5937000    
 H   -6.969900      0.2442000     -0.9920000    
 H   -7.564100     -0.6020000      0.4456000    
 H    3.500300       3.217200       1.271300    


%chk=000058088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058088

0 1
O 3.841028 2.039488 0.060358
O 2.081256 3.525171 0.122431
N -0.481558 -0.884619 0.131786
N -4.485202 0.453750 0.244684
N -3.212905 -0.008525 0.235550
C 1.952050 -0.256480 0.079779
C 0.857960 -1.223829 0.094616
C 1.560002 1.140014 0.106240
C 0.196542 1.458960 0.144162
C -0.810489 0.433874 0.157387
C 3.294534 -0.755734 0.040321
C 1.155883 -2.627398 0.069251
C 3.547613 -2.131381 0.016700
C 2.475270 -3.076617 0.030994
C 2.469340 2.329794 0.098088
C -2.210917 0.858674 0.201356
C -5.586968 -0.499583 0.434102
C -6.840205 -0.073838 -0.352000
H -0.092112 2.514954 0.164137
H 4.121498 -0.045438 0.028793
H 0.303586 -3.313123 0.081314
H 4.583186 -2.488331 -0.013355
H 2.693524 -4.150006 0.011738
H -2.385114 1.953467 0.203322
H -5.212501 -1.477176 0.087805
H -5.832987 -0.603481 1.512692
H -4.688741 1.464919 0.296966
H -7.210764 0.916071 -0.023876
H -6.628516 -0.024535 -1.434189
H -7.653733 -0.802472 -0.187849
H 4.336541 2.903629 0.058396


