%chk=000081581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081581

0 1
 O    4.916100      0.8418000       1.603000    
 N   -1.652400      0.6786000     -0.7781000    
 N    3.341100       1.771500      0.1611000    
 C    1.146800      0.7150000      0.2705000    
 C  -0.1237000      0.5946000       1.160200    
 C   0.6864000       1.464000      -1.013400    
 C   -1.290000     -7.7000000E-02  0.4263000    
 C  -0.5159000      0.7996000      -1.698500    
 C    2.181900       1.604800      0.9947000    
 C    1.823000     -0.6499000      2.0400001E-02
 C   -2.795400      6.1000001E-02  -1.449500    
 C    1.728800      -1.652600      0.9801000    
 C    2.521900     -0.8670000      -1.162500    
 C   -4.009000      1.1500000E-02 -0.5598000    
 C    2.340300      -2.885900      0.7543000    
 C    3.133200      -2.100300      -1.388400    
 C    4.617300       1.374000      0.5371000    
 C    3.042400      -3.109600     -0.4299000    
 C   -4.215700      -1.094000      0.2535000    
 C   -4.904300       1.072000     -0.5655000    
 C    5.642700       1.641700     -0.5317000    
 C   -5.340200      -1.140000       1.077600    
 C   -6.028800       1.026100      0.2585000    
 C   -6.246700     -7.9999998E-02   1.080100    
 H  -0.4483000       1.607600       1.444300    
 H   6.1799999E-02  9.8300003E-02   2.117200    
 H    1.481000       1.589900      -1.754700    
 H   0.3885000       2.488000     -0.7421000    
 H   -1.050700      -1.121100      0.1915000    
 H   -2.101500     -7.2899997E-02   1.158900    
 H  -0.8035000       1.423100      -2.554000    
 H  -0.2277000     -0.1810000      -2.097500    
 H    2.471100       1.172700       1.960000    
 H    1.779700       2.605400       1.190700    
 H   -2.554100     -0.9525000      -1.799900    
 H   -3.051700      0.6319000      -2.352300    
 H    3.233200       2.273500     -0.7151000    
 H    1.221800      -1.523300       1.928100    
 H    2.630900     -0.1114000      -1.931400    
 H    2.275900      -3.670000       1.503100    
 H    3.683200      -2.273900      -2.308800    
 H    3.520600      -4.068900     -0.6047000    
 H   -3.527400      -1.934500      0.2517000    
 H   -4.743300       1.939200      -1.199800    
 H    6.643900       1.438400     -0.1420000    
 H    5.453500      0.9930000      -1.391300    
 H    5.593500       2.688000     -0.8464000    
 H   -5.511700      -2.002700       1.714700    
 H   -6.734500       1.851600      0.2609000    
 H   -7.122700     -0.1161000       1.721100    


%chk=000081581-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081581

0 1
O 4.748958 1.272240 1.852351
N -1.708265 0.379827 -0.769061
N 3.351530 1.930508 0.107736
C 1.147178 0.645206 0.138194
C -0.069306 0.444120 1.099108
C 0.580059 1.281524 -1.167513
C -1.227007 -0.328279 0.445131
C -0.620890 0.517777 -1.767663
C 2.105894 1.671820 0.837281
C 1.915876 -0.679127 -0.090812
C -2.919209 -0.248570 -1.347314
C 2.362242 -1.432137 1.029537
C 2.261558 -1.161835 -1.379862
C -4.162769 -0.072367 -0.479772
C 3.104097 -2.620992 0.871760
C 3.006211 -2.352561 -1.546304
C 4.601717 1.685946 0.662077
C 3.428400 -3.092952 -0.421094
C -5.131011 -1.102500 -0.392021
C -4.394078 1.144583 0.210353
C 5.790513 1.947836 -0.259430
C -6.314353 -0.920044 0.360677
C -5.572114 1.328350 0.967061
C -6.539358 0.297684 1.042736
H -0.446299 1.440759 1.403734
H 0.245563 -0.081941 2.018728
H 1.364745 1.386498 -1.943027
H 0.230688 2.302871 -0.917387
H -0.897915 -1.370409 0.199637
H -2.068591 -0.407012 1.156203
H -1.014088 1.083535 -2.634196
H -0.291965 -0.482202 -2.146431
H 2.412047 1.300176 1.830941
H 1.548323 2.619538 0.986253
H -2.767217 -1.339440 -1.553894
H -3.096680 0.233644 -2.330733
H 3.297204 2.259252 -0.856607
H 2.151721 -1.079324 2.045508
H 1.955880 -0.612835 -2.275876
H 3.439988 -3.171049 1.757897
H 3.255174 -2.699101 -2.556175
H 4.005767 -4.015674 -0.546895
H -4.957626 -2.053159 -0.912628
H -3.631069 1.928836 0.150848
H 6.496793 2.627021 0.247275
H 6.320188 0.995585 -0.436889
H 5.508543 2.383760 -1.234072
H -7.053864 -1.726909 0.419699
H -5.738149 2.273371 1.497415
H -7.453735 0.440350 1.629818


