%chk=000070567.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070567

0 1
 O   -2.332500      0.2911000       2.072900    
 N   0.5991000      0.8772000     -0.5416000    
 N   -3.351700     -0.5776000     -0.9513000    
 N   -3.807000       1.544300      0.8281000    
 C   -2.230800      0.1156000     -0.3168000    
 C   -1.086500     -0.8724000     -5.7799999E-02
 C   -1.753500       1.264500      -1.213900    
 C   0.1901000     -0.1638000      0.4104000    
 C  -0.4513000       1.891300     -0.7017000    
 C   -2.774900      0.6496000      0.9842000    
 C    1.850400       1.500700     -0.1107000    
 C   -3.838500      -1.652800     -0.1018000    
 C    2.971700      0.5004000     -1.5300000E-02
 C   -5.025500      -2.358400     -0.7353000    
 C    3.191200     -0.1682000       1.181000    
 C    3.770500      0.2612000      -1.124800    
 C    4.230200      -1.094600       1.269600    
 C    4.809500     -0.6652000      -1.036200    
 C    5.039400      -1.343000      0.1610000    
 H  -0.8570000      -1.430200     -0.9771000    
 H   -1.326600      -1.615100      0.7122000    
 H   -2.503600       2.054900      -1.330900    
 H   -1.567000      0.8807000      -2.227700    
 H   6.7199998E-02  0.2456000       1.419700    
 H   0.9289000     -0.9678000      0.4667000    
 H  -0.1293000       2.642800      -1.433100    
 H  -0.6362000       2.419300      0.2428000    
 H   -3.065200     -0.9554000      -1.854100    
 H    1.731300       2.013300      0.8543000    
 H    2.143900       2.281700     -0.8253000    
 H   -3.084200      -2.429900      5.3100001E-02
 H   -4.175800      -1.308000      0.8807000    
 H   -4.249500       1.970300       1.635800    
 H   -4.203200       1.776700     -7.6399997E-02
 H   -5.858400      -1.664800     -0.8929000    
 H   -4.756900      -2.796600      -1.702600    
 H   -5.378600      -3.166900     -8.6599998E-02
 H    2.580400      2.5800001E-02   2.058200    
 H    3.599200      0.7819000      -2.062700    
 H    4.411600      -1.619700       2.202800    
 H    5.439400     -0.8591000      -1.899500    
 H    5.849000      -2.063700      0.2302000    


%chk=000070567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070567

0 1
O -2.373743 1.070664 2.146697
N 0.624715 0.855753 -0.173093
N -3.360888 -0.497744 -0.991002
N -4.255408 1.254325 0.785372
C -2.283369 0.151303 -0.176957
C -1.163082 -0.834243 0.279224
C -1.643218 1.257581 -1.075252
C 0.116503 -0.147924 0.800799
C -0.397973 1.896883 -0.438224
C -2.963491 0.851226 1.044569
C 1.923795 1.431315 0.248192
C -3.943961 -1.760074 -0.463570
C 3.080547 0.440582 0.137873
C -5.108875 -2.225735 -1.354062
C 4.124935 0.440342 1.094743
C 3.153788 -0.460913 -0.954301
C 5.227549 -0.435374 0.961031
C 4.250988 -1.339332 -1.089052
C 5.294773 -1.328368 -0.132915
H -0.896407 -1.454112 -0.601241
H -1.542998 -1.508103 1.069041
H -2.399190 2.029522 -1.310250
H -1.329302 0.779547 -2.026319
H -0.098072 0.322672 1.786511
H 0.901931 -0.912288 0.945044
H 0.029006 2.636568 -1.142024
H -0.686383 2.444242 0.492926
H -3.052667 -0.614377 -1.967612
H 1.886499 1.836889 1.291297
H 2.128575 2.295070 -0.417390
H -3.193089 -2.577891 -0.380594
H -4.312078 -1.560230 0.560955
H -4.781909 1.763218 1.493357
H -4.654513 0.961062 -0.113737
H -5.895825 -1.452335 -1.407024
H -4.765513 -2.432532 -2.385998
H -5.556021 -3.154976 -0.957464
H 4.073355 1.125670 1.950507
H 2.331324 -0.465153 -1.678473
H 6.027218 -0.424860 1.710678
H 4.295014 -2.032180 -1.937695
H 6.146758 -2.009993 -0.236964


