%chk=000042780.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042780

0 1
 O   -1.562300      0.8506000     -0.5149000    
 O   -1.063900       1.850900       1.500000    
 N   0.9004000       3.345900      0.3695000    
 C    3.819700      -1.302900      7.4400000E-02
 C    2.998000     -0.3560000     -0.8408000    
 C    1.999800      0.5638000     -0.1240000    
 C    1.204900       1.403300      -1.137200    
 C    4.704500     -0.5074000       1.048300    
 C    2.830400      -2.152600      0.8961000    
 C    4.703400      -2.249900     -0.7543000    
 C   0.2164000       2.395100     -0.5058000    
 C   -4.446200      -1.612300     -0.3775000    
 C  -0.8618000       1.693600      0.3027000    
 C   -3.282200     -0.7738000     -0.9300000    
 C   -2.610400      0.1078000      0.1160000    
 C   -3.947300      -2.510600      0.7567000    
 C   -5.603300     -0.7455000      0.1209000    
 H    3.693400      0.2628000      -1.423400    
 H    2.447900     -0.9633000      -1.572500    
 H    1.292300     -2.4599999E-02  0.4673000    
 H    2.537600       1.225100      0.5624000    
 H   0.6649000      0.7270000      -1.811900    
 H    1.910400       1.962600      -1.765900    
 H    4.112700      0.1016000       1.739100    
 H    5.320200      -1.178900       1.657800    
 H    5.381000      0.1611000      0.5045000    
 H    3.360700      -2.935200       1.452000    
 H    2.286400      -1.559900       1.638500    
 H    2.098800      -2.650000      0.2494000    
 H    5.272700      -2.931800     -0.1129000    
 H    4.098400      -2.858700      -1.435500    
 H    5.419800      -1.684100      -1.360200    
 H  -0.2850000       2.964000      -1.298000    
 H   -4.817000      -2.249100      -1.190400    
 H   -3.638800     -0.1456000      -1.756400    
 H   -2.528000      -1.435700      -1.375600    
 H   -2.166700     -0.4972000      0.9131000    
 H   -3.326300      0.8145000      0.5480000    
 H    1.621500       3.837300     -0.1571000    
 H   0.2417000       4.058200      0.6827000    
 H   -4.725100      -3.231100       1.033700    
 H   -3.698400      -1.945200       1.660300    
 H   -3.065100      -3.081800      0.4493000    
 H   -5.331200     -0.1573000       1.002800    
 H   -6.457300      -1.373700      0.3970000    
 H   -5.936700     -5.6000002E-02 -0.6616000    


%chk=000042780-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042780

0 1
O -1.679222 0.950312 -0.593170
O -0.900003 1.745906 1.455044
N 0.979016 3.455302 0.077725
C 3.921164 -1.306226 0.147911
C 3.046394 -0.436601 -0.811217
C 2.072797 0.568424 -0.152179
C 1.261566 1.335230 -1.220894
C 4.825917 -0.410183 1.035052
C 3.029381 -2.198895 1.051727
C 4.822790 -2.220406 -0.725811
C 0.271296 2.393692 -0.651559
C -4.609387 -1.549871 -0.391134
C -0.807726 1.691165 0.205769
C -3.444523 -0.675285 -0.940719
C -2.749163 0.181759 0.119470
C -4.128443 -2.584033 0.657059
C -5.778131 -0.698814 0.165372
H 3.726017 0.125072 -1.487166
H 2.460129 -1.121585 -1.460939
H 1.383524 0.033428 0.530555
H 2.645676 1.288829 0.463015
H 0.690880 0.617086 -1.841037
H 1.956801 1.880404 -1.887029
H 4.231612 0.220958 1.720680
H 5.499821 -1.031480 1.655061
H 5.454354 0.257382 0.414973
H 3.653845 -2.864132 1.677850
H 2.400692 -1.596095 1.732184
H 2.360059 -2.836719 0.442823
H 5.464550 -2.864027 -0.094818
H 4.212746 -2.879338 -1.372918
H 5.483160 -1.619342 -1.379710
H -0.248164 2.848051 -1.515727
H -4.998667 -2.116942 -1.262455
H -3.830987 -0.008158 -1.735577
H -2.686288 -1.330979 -1.411809
H -2.271916 -0.418707 0.913557
H -3.430091 0.909569 0.595837
H 0.409582 4.296954 0.218273
H 1.358365 3.130374 0.974811
H -4.948132 -3.274759 0.928016
H -3.791332 -2.091863 1.588793
H -3.288150 -3.189809 0.269006
H -5.489708 -0.167708 1.091817
H -6.645204 -1.339545 0.410656
H -6.111999 0.056601 -0.570567


