%chk=000036534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036534

0 1
 O   -1.008400       1.116500      0.3908000    
 O   0.1112000      0.5354000      -1.516700    
 N   -4.818400     -0.6106000      0.2433000    
 N    1.136000      0.4827000      0.5876000    
 C   -2.272200      0.7660000     -0.1586000    
 C   -2.399600     -0.7521000     -0.2480000    
 C   -3.374700       1.337000      0.7275000    
 C   -3.808800      -1.167200     -0.6688000    
 C   -4.754100      0.8577000      0.2773000    
 C   -6.157200      -1.055400     -0.1427000    
 C   9.9200003E-02  0.6900000     -0.3015000    
 C    2.449800      4.4100001E-02  0.3056000    
 C    2.732800      -1.314600      0.3124000    
 C    3.437100      0.9789000      2.7000001E-02
 C    4.029600      -1.747400      3.5300002E-02
 C    4.733900      0.5460000     -0.2503000    
 C    1.682800      -2.335400      0.6109000    
 C    3.150900       2.445700      1.5000000E-02
 C    5.030000     -0.8172000     -0.2462000    
 H   -2.363000       1.212100      -1.157900    
 H   -2.149600      -1.203200      0.7220000    
 H   -1.682500      -1.171500     -0.9622000    
 H   -3.332400       2.432800      0.7120000    
 H   -3.198600       1.048400       1.772600    
 H   -3.994900     -0.8451000      -1.701900    
 H   -3.860900      -2.262700     -0.6546000    
 H   -4.988200       1.282200     -0.7080000    
 H   -5.497900       1.245300      0.9841000    
 H   -6.905600     -0.6829000      0.5657000    
 H   -6.221200      -2.149000     -0.1191000    
 H   -6.433400     -0.7150000      -1.147300    
 H   0.9424000      0.6611000       1.569800    
 H    4.277900      -2.805500      3.3500001E-02
 H    5.525400       1.256700     -0.4726000    
 H    2.100100      -3.347000      0.6611000    
 H   0.9163000      -2.334100     -0.1709000    
 H    1.212300      -2.133200       1.578900    
 H    4.060700       3.037300     -0.1346000    
 H    2.460400       2.692900     -0.7979000    
 H    2.715400       2.761500      0.9689000    
 H    6.039700      -1.154100     -0.4625000    


%chk=000036534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036534

0 1
O -1.001214 0.170742 0.819270
O 0.135783 0.437911 -1.236322
N -5.137085 -0.320984 -0.062876
N 1.250160 -0.045254 0.798991
C -2.307267 0.359555 0.116724
C -2.771521 -0.956718 -0.528196
C -3.308805 0.839670 1.172550
C -4.190138 -0.773325 -1.110254
C -4.710756 0.965723 0.536950
C -6.529890 -0.277207 -0.548315
C 0.147934 0.209570 -0.001629
C 2.612835 -0.150726 0.354754
C 3.323885 -1.341960 0.690699
C 3.241528 0.920076 -0.345466
C 4.676612 -1.458452 0.295831
C 4.593011 0.750975 -0.739853
C 2.639219 -2.467248 1.447440
C 2.520884 2.218413 -0.644147
C 5.308881 -0.423175 -0.426926
H -2.157381 1.125704 -0.669379
H -2.794814 -1.749004 0.242475
H -2.071433 -1.255883 -1.328500
H -2.989363 1.812863 1.588108
H -3.348156 0.105803 1.997978
H -4.147806 -0.045838 -1.964874
H -4.551120 -1.735095 -1.518743
H -4.699085 1.788737 -0.228060
H -5.444921 1.252293 1.312307
H -7.206368 -0.009584 0.283206
H -6.825539 -1.274542 -0.920355
H -6.690391 0.460751 -1.375425
H 1.028032 -0.329398 1.755855
H 5.229528 -2.371479 0.545661
H 5.088007 1.563846 -1.283892
H 3.287574 -3.358078 1.493196
H 1.688249 -2.758866 0.964339
H 2.400168 -2.185885 2.493357
H 3.238686 3.010646 -0.916636
H 1.803094 2.087615 -1.473995
H 1.936663 2.563156 0.229379
H 6.354621 -0.528251 -0.736228


