%chk=000119282.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119282

0 1
 O   -4.535200      -1.431700     -0.4324000    
 N    1.646800       1.487200      0.1658000    
 N   0.4121000       2.001700      0.1781000    
 N   0.3923000     -0.2782000     -8.0600001E-02
 C    4.072500       1.615800     -0.2379000    
 C    2.838600       2.271000      0.3999000    
 C    4.098700      0.1064000     -8.1200004E-02
 C    2.889000     -0.6191000     -8.9999998E-04
 C    1.641300      0.1273000      1.6400000E-02
 C    5.314800     -0.5855000     -0.1044000    
 C  -0.3143000      0.8915000      1.7400000E-02
 C    2.912300      -2.014600      6.8599999E-02
 C   -1.748300      0.9076000     -4.2199999E-02
 C    5.330000      -1.978500     -2.7600000E-02
 C    4.133200      -2.690200      5.8100000E-02
 C   -2.453500     -0.2844000     -0.2105000    
 C   -2.438000       2.115300      6.9200002E-02
 C   -3.847300     -0.2690000     -0.2671000    
 C   -3.831700       2.130700      1.2200000E-02
 C   -4.536300      0.9387000     -0.1558000    
 C   -5.838800      -1.502200      0.1434000    
 C   -6.138300      -2.939800      0.5112000    
 H    4.974900       2.062100      0.1958000    
 H    4.082100       1.833200      -1.313800    
 H    2.954500       2.336100       1.488000    
 H    2.682400       3.278100      3.9999999E-04
 H    6.254400     -4.5800000E-02 -0.1875000    
 H    1.990800      -2.587300      0.1348000    
 H    6.276600      -2.511100     -4.1900001E-02
 H    4.151800      -3.775000      0.1143000    
 H   -1.940000      -1.239000     -0.2999000    
 H   -1.923300       3.063900      0.1996000    
 H   -4.368000       3.071900      9.2399999E-02
 H   -5.618500      0.9986000     -0.2230000    
 H   -5.912400     -0.9061000       1.061700    
 H   -6.574300      -1.145400     -0.5860000    
 H   -7.137100      -3.032800      0.9470000    
 H   -6.077400      -3.584300     -0.3719000    
 H   -5.402600      -3.315400       1.230200    


%chk=000119282-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119282

0 1
O -4.521431 -1.523850 0.103472
N 1.756619 1.527507 0.072053
N 0.468457 2.045748 0.121467
N 0.442161 -0.282496 0.063317
C 4.122986 1.600580 -0.543187
C 2.975211 2.339179 0.184838
C 4.195033 0.114320 -0.193710
C 2.985310 -0.609274 0.041164
C 1.732247 0.142959 0.048741
C 5.419918 -0.586955 -0.174541
C -0.300147 0.901326 0.105997
C 3.013502 -2.006217 0.271944
C -1.770311 0.936156 0.128171
C 5.450584 -1.981727 0.062622
C 4.245695 -2.691939 0.280095
C -2.493042 -0.277774 0.104845
C -2.466802 2.177072 0.174598
C -3.907308 -0.260388 0.129105
C -3.872958 2.179785 0.197510
C -4.609686 0.970466 0.175581
C -5.995537 -1.572101 0.124446
C -6.388335 -3.046693 0.084140
H 5.078479 2.101693 -0.307710
H 3.966700 1.699772 -1.636870
H 3.213477 2.485755 1.256474
H 2.779271 3.325649 -0.264826
H 6.355999 -0.043924 -0.352387
H 2.068134 -2.530049 0.445043
H 6.409450 -2.511400 0.076396
H 4.269747 -3.772128 0.458978
H -1.960518 -1.232004 0.067466
H -1.898985 3.111744 0.192033
H -4.413640 3.132312 0.233321
H -5.702813 1.002101 0.194315
H -6.369684 -1.081427 1.047080
H -6.397366 -1.024724 -0.753557
H -7.488941 -3.148272 0.094194
H -5.999547 -3.526922 -0.829966
H -5.978130 -3.582163 0.957247


