%chk=000079986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079986

0 1
 O    1.367700      -1.734600     -0.4869000    
 N   -3.202000      0.2459000     -0.3299000    
 N    2.962300     -0.1253000     -3.4100000E-02
 C   -4.312300       1.195700     -0.2668000    
 C   -3.503100     -0.7584000      0.6900000    
 C   -5.526900      0.2905000     -0.1235000    
 C   -4.995700     -0.9922000      0.5086000    
 C   -1.911700      0.8845000     -0.1171000    
 C    3.380100       1.231800      0.3035000    
 C    4.113000      -1.004700     -0.1813000    
 C  -0.7869000     -0.1467000     -0.2250000    
 C    4.886600       1.230200      8.5400000E-02
 C    5.275200     -0.2100000      0.3945000    
 C   0.5890000      0.4667000     -1.6500000E-02
 C    1.664600     -0.5736000     -0.2009000    
 H   -4.376600       1.816900      -1.165800    
 H   -4.235800       1.853800      0.6084000    
 H   -3.306600     -0.3861000       1.703700    
 H   -2.958700      -1.696400      0.5451000    
 H   -6.303600      0.7549000      0.4925000    
 H   -5.963900      6.7199998E-02  -1.103900    
 H   -5.180000      -1.839500     -0.1624000    
 H   -5.486900      -1.206800       1.463100    
 H   -1.866500       1.383800      0.8596000    
 H   -1.756600       1.655300     -0.8823000    
 H    3.126800       1.408400       1.354500    
 H    2.869600       1.972100     -0.3177000    
 H    4.248800      -1.198700      -1.251000    
 H    3.945700      -1.956200      0.3321000    
 H  -0.9130000     -0.9391000      0.5221000    
 H  -0.8348000     -0.6289000      -1.210800    
 H    5.404400       1.958600      0.7152000    
 H    5.114500       1.457800     -0.9630000    
 H    6.237600     -0.4966000     -3.7900001E-02
 H    5.328000     -0.3542000       1.480300    
 H   0.6648000      0.8880000      0.9918000    
 H   0.7449000       1.269200     -0.7456000    


%chk=000079986-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079986

0 1
O 1.537711 -1.855069 -0.355430
N -3.245804 0.250760 -0.228486
N 3.035035 -0.117948 -0.053241
C -4.339927 1.251176 -0.131507
C -3.665784 -0.857050 0.668760
C -5.630859 0.393725 -0.159465
C -5.183618 -1.007404 0.383375
C -1.902309 0.804140 0.029267
C 3.426025 1.296701 0.173392
C 4.210141 -1.030417 -0.089060
C -0.778335 -0.222553 -0.211539
C 4.961491 1.281932 -0.026048
C 5.369223 -0.145362 0.425122
C 0.613748 0.420948 -0.078146
C 1.748448 -0.611198 -0.177467
H -4.279789 1.975038 -0.964433
H -4.283612 1.829739 0.828819
H -3.496061 -0.593233 1.746626
H -3.098308 -1.778318 0.454180
H -6.429734 0.847785 0.452754
H -6.009625 0.300650 -1.191552
H -5.355700 -1.785908 -0.379155
H -5.734537 -1.301937 1.293822
H -1.820216 1.201149 1.079866
H -1.760810 1.668863 -0.650528
H 3.161432 1.621099 1.201587
H 2.918089 1.975520 -0.535762
H 4.384676 -1.385260 -1.123686
H 4.015436 -1.920233 0.533222
H -0.854101 -1.061898 0.502419
H -0.895633 -0.661484 -1.218367
H 5.464118 2.078915 0.547564
H 5.202999 1.423267 -1.095628
H 6.345729 -0.459328 0.020018
H 5.424194 -0.194243 1.528391
H 0.697217 0.956942 0.891665
H 0.751052 1.193792 -0.863346


