%chk=000168868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168868

1 1
 O  -0.5031000      0.1428000       1.371100    
 N   -2.965900     -3.3000000E-03  1.0100000E-02
 N   0.6164000      0.3586000     -0.6836000    
 C   -4.204700      0.3394000     -0.8048000    
 C   -2.766100      -1.512100      1.9700000E-02
 C   -1.748500      0.6654000     -0.6119000    
 C   -3.144000      0.4939000       1.437500    
 C   -4.397800       1.840100     -0.8106000    
 C   -3.979000      -2.171300      0.6390000    
 C  -0.4879000      0.3550000      0.1632000    
 C    1.967200      0.1139000     -0.3400000    
 C    2.776900       1.174300      3.8699999E-02
 C    2.458700      -1.182000     -0.3885000    
 C    4.108700      0.9333000      0.3766000    
 C    3.790400      -1.423200     -5.0500002E-02
 C    2.263400       2.576700      9.6199997E-02
 C    1.600000      -2.336100     -0.7941000    
 C    4.615300     -0.3653000      0.3321000    
 H   -4.073100     -5.5300001E-02  -1.818200    
 H   -5.083200     -0.1186000     -0.3432000    
 H   -2.619200      -1.842800      -1.014800    
 H   -1.873500      -1.759600      0.6010000    
 H   -1.679000      0.3214000      -1.650000    
 H   -1.869000       1.752100     -0.5866000    
 H   -2.610600     -0.1518000       2.140700    
 H   -2.788000       1.525900       1.520000    
 H   -4.207500      0.4626000       1.699700    
 H   -5.365500       2.062100      -1.277200    
 H   -4.428500       2.297200      0.1811000    
 H   -3.656500       2.361000      -1.422900    
 H   -3.761000      -3.238400      0.7711000    
 H   -4.245800      -1.793100       1.628400    
 H   -4.859400      -2.136200     -8.5000005E-03
 H   0.4868000      0.7154000      -1.627900    
 H    4.765300       1.745300      0.6776000    
 H    4.201500      -2.428800     -7.8599997E-02
 H    1.843900       2.873700     -0.8709000    
 H    1.493200       2.669800      0.8688000    
 H    3.057500       3.292200      0.3359000    
 H    2.175300      -3.265200     -0.8715000    
 H   0.8079000      -2.499500     -5.6000002E-02
 H    1.148300      -2.155100      -1.775200    
 H    5.652100     -0.5532000      0.5956000    


%chk=000168868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168868

1 1
O -0.405985 -1.113354 0.766263
N -3.024450 -0.106714 -0.052043
N 0.667340 0.379575 -0.688676
C -4.230793 0.540474 -0.792578
C -3.259558 -1.655864 0.015888
C -1.755547 0.150230 -0.880518
C -2.885662 0.478502 1.353184
C -4.253359 2.073195 -0.825921
C -4.397707 -2.104265 0.937172
C -0.435090 -0.254402 -0.166662
C 2.043183 0.161066 -0.284053
C 2.784409 1.308783 0.125329
C 2.623649 -1.136810 -0.352889
C 4.136003 1.130728 0.496944
C 3.978914 -1.266169 0.042544
C 2.144041 2.685679 0.172800
C 1.860914 -2.348404 -0.847615
C 4.729152 -0.150404 0.465902
H -4.213876 0.121090 -1.814271
H -5.129209 0.160985 -0.280954
H -3.447302 -1.963640 -1.028767
H -2.296465 -2.070231 0.353116
H -1.865015 -0.430771 -1.814269
H -1.744909 1.222147 -1.138941
H -2.168217 -0.134489 1.915081
H -2.515532 1.511629 1.277314
H -3.871291 0.473036 1.839664
H -5.162442 2.378101 -1.373956
H -4.320478 2.522341 0.178331
H -3.398893 2.519187 -1.362665
H -4.449522 -3.205862 0.873590
H -4.209286 -1.859596 1.995191
H -5.391881 -1.724056 0.647379
H 0.512649 1.148501 -1.349373
H 4.721285 1.998517 0.819534
H 4.448273 -2.255087 0.001645
H 1.879061 3.063535 -0.836437
H 1.222230 2.689561 0.785009
H 2.837547 3.420971 0.611294
H 2.555224 -3.159403 -1.121497
H 1.177128 -2.728031 -0.066048
H 1.247742 -2.113398 -1.738037
H 5.775723 -0.275687 0.761597


