%chk=000127940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127940

0 1
 O   -1.314900       3.230100      -2.281100    
 O   -4.291600      -1.188500       2.093700    
 N    1.257000       2.201600      0.2081000    
 N   -3.057600      -2.331300     -0.1573000    
 N   -3.978800       1.024900       2.605400    
 C    2.708700       2.125000      0.1485000    
 C    3.285200       1.578100       1.467800    
 C   0.7098000       2.669100      -1.063400    
 C  -0.8288000       2.746400      -1.022400    
 C    2.722600      0.2176000       1.906500    
 C   -1.452800       1.420400     -0.7374000    
 C    3.281900       3.510600     -0.1504000    
 C   -1.780100     -0.9108000      -1.309400    
 C   -1.187200      0.3378000      -1.583700    
 C   -2.616500      -1.027800     -0.1971000    
 C   -2.292200       1.274300      0.3652000    
 C   -2.891200      4.5600001E-02  0.6575000    
 C    3.020100     -0.9049000      0.9445000    
 C   -1.735400      -2.188200      -1.934600    
 C   -2.530400      -3.040400      -1.203300    
 C    2.127300      -1.177200     -8.1200004E-02
 C    4.181700      -1.646100       1.100800    
 C   -3.763200     -9.7800002E-02   1.809400    
 C    2.402500      -2.215400     -0.9713000    
 C    4.456800      -2.684200      0.2106000    
 C    3.567200      -2.968700     -0.8255000    
 H    3.017000       1.453600     -0.6620000    
 H    4.376600       1.501500       1.375000    
 H    3.093900       2.299000       2.274100    
 H    1.041600       2.030600      -1.891600    
 H    1.050700       3.681800      -1.305400    
 H   -1.130000       3.485100     -0.2690000    
 H   0.9657000       2.826900      0.9589000    
 H    1.640100      0.2829000       2.074900    
 H    3.144700     -3.4499999E-02   2.888600    
 H    3.132600       3.811800      -1.191900    
 H    4.366800       3.513600      9.6000005E-03
 H    2.858500       4.280800      0.5045000    
 H  -0.5436000      0.4441000      -2.452000    
 H   -2.452200       2.155100      0.9772000    
 H   -1.180500      -2.456500      -2.823100    
 H   -3.680200      -2.711500      0.5420000    
 H  -0.9111000       4.101200      -2.435000    
 H   -2.767200      -4.086800      -1.333700    
 H    1.212200     -0.6090000     -0.1959000    
 H    4.881900      -1.430900       1.902900    
 H    1.708300      -2.438800      -1.776100    
 H    5.363900      -3.270600      0.3237000    
 H    3.781100      -3.777300      -1.518200    
 H   -4.579300      0.9476000       3.420400    
 H   -3.588100       1.945400       2.452300    


%chk=000127940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127940

0 1
O -1.364293 3.333894 -2.561164
O -3.062976 -1.852597 2.187597
N 1.250794 2.729925 0.097274
N -2.749603 -2.415408 -0.460237
N -2.422833 0.179965 3.077031
C 2.657196 2.246013 0.173142
C 2.956107 1.754516 1.610086
C 0.693790 2.947336 -1.247083
C -0.863836 2.898466 -1.242256
C 2.102166 0.531096 2.048032
C -1.413310 1.504191 -0.988684
C 3.701843 3.299417 -0.282665
C -1.984149 -0.727756 -1.800494
C -1.524493 0.586151 -2.057698
C -2.327954 -1.093213 -0.448648
C -1.763158 1.116988 0.333715
C -2.223809 -0.187698 0.641072
C 2.419992 -0.732240 1.258080
C -2.220722 -1.899713 -2.619343
C -2.685339 -2.905511 -1.769583
C 1.574211 -1.165930 0.204231
C 3.584040 -1.493097 1.545492
C -2.596630 -0.672545 2.001693
C 1.881139 -2.326670 -0.542854
C 3.896590 -2.652420 0.800580
C 3.045061 -3.073568 -0.248382
H 2.721111 1.372138 -0.504788
H 4.031543 1.497459 1.678574
H 2.785325 2.592889 2.319636
H 1.063692 2.148572 -1.916130
H 1.002817 3.924268 -1.704689
H -1.229603 3.592358 -0.451605
H 1.103388 3.540762 0.716272
H 1.037160 0.793734 1.917946
H 2.278420 0.352288 3.127145
H 3.478336 3.671326 -1.299701
H 4.719288 2.866181 -0.299285
H 3.713642 4.167226 0.406240
H -1.278568 0.916877 -3.071432
H -1.666899 1.872579 1.123083
H -2.073282 -1.987462 -3.694061
H -3.053566 -2.868745 0.408334
H -0.903171 4.174519 -2.814767
H -2.976619 -3.929029 -1.998198
H 0.667348 -0.594523 -0.024827
H 4.244225 -1.179911 2.365129
H 1.206639 -2.646577 -1.345830
H 4.796595 -3.230759 1.040792
H 3.283098 -3.975917 -0.823266
H -2.679241 -0.166892 3.999997
H -2.028001 1.112348 2.986594


