%chk=000092699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092699

0 1
 O    7.094100     -0.8787000      4.5600001E-02
 N   -3.323300      0.3738000      -1.184200    
 N   -3.340900      0.3266000       1.225000    
 C    1.111700      0.9035000      7.6800004E-02
 C    2.231900     -0.1387000      9.5399998E-02
 C  -0.2663000      0.2357000      4.0500000E-02
 C    3.609700      0.5257000      9.8399997E-02
 C   -1.421500       1.243300      5.1899999E-02
 C    4.727800     -0.5144000      8.3200000E-02
 C   -7.699000     -0.1219000     -2.0800000E-02
 C   -9.079400     -0.7784000     -8.6599998E-02
 C   -6.562700      -1.160200     -3.3100002E-02
 C   -10.19500      0.2667000     -3.9400000E-02
 C   -5.219300     -0.5325000     -1.0700000E-02
 C   -2.787400      0.6050000      2.9300001E-02
 C    6.102100      0.1386000      4.2900000E-02
 C   -11.57470     -0.3906000     -7.1400002E-02
 C   -4.545200     -0.1982000      -1.167400    
 C   -4.562300     -0.2440000       1.167900    
 C   -12.68610      0.6436000      9.7000003E-03
 C    8.401000     -0.4683000     -5.9000002E-03
 C    8.703500      0.8925000     -5.7399999E-02
 C    9.428600      -1.411600     -7.1000000E-03
 C    10.03340       1.309900     -0.1105000    
 C    10.75850     -0.9941000     -6.0100000E-02
 C    11.06090      0.3666000     -0.1119000    
 H    1.187500       1.540900      0.9660000    
 H    1.224300       1.553600     -0.7991000    
 H    2.140700     -0.7893000     -0.7830000    
 H    2.128500     -0.7759000      0.9821000    
 H  -0.3665000     -0.4375000      0.9017000    
 H  -0.3429000     -0.3937000     -0.8554000    
 H    3.709600       1.162300      0.9858000    
 H    3.703200       1.177000     -0.7792000    
 H   -1.331600       1.913400     -0.8121000    
 H   -1.345400       1.878100      0.9436000    
 H    4.617800      -1.178900     -0.7831000    
 H    4.656300      -1.160700      0.9670000    
 H   -7.581800      0.5633000     -0.8702000    
 H   -7.625800      0.4889000      0.8881000    
 H   -9.192300      -1.474600      0.7533000    
 H   -9.163300      -1.366700      -1.008300    
 H   -6.670700      -1.834600      0.8262000    
 H   -6.655900      -1.797300     -0.9221000    
 H   -10.09670      0.8667000      0.8736000    
 H   -10.09370      0.9528000     -0.8891000    
 H   -11.67410      -1.089700      0.7671000    
 H   -11.68870     -0.9718000     -0.9938000    
 H    6.169200      0.7370000     -0.8744000    
 H    6.208400      0.7770000      0.9290000    
 H   -4.974900     -0.3815000      -2.147200    
 H   -5.006300     -0.4654000       2.133200    
 H   -13.66370      0.1522000     -1.6100001E-02
 H   -12.61970       1.219100      0.9385000    
 H   -12.63430       1.341700     -0.8319000    
 H    7.958000       1.680100     -5.7999998E-02
 H    9.199100      -2.472900      3.2900002E-02
 H    10.27010       2.369200     -0.1503000    
 H    11.55860      -1.728500     -6.1200000E-02
 H    12.09640      0.6916000     -0.1531000    


%chk=000092699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092699

0 1
O 7.213466 -0.758851 0.093295
N -3.447196 0.385197 -1.444000
N -3.309502 0.142188 0.971319
C 1.086409 0.882886 -0.144772
C 2.261047 -0.118997 -0.084656
C -0.297128 0.197652 -0.174333
C 3.641530 0.574845 -0.049130
C -1.458587 1.228118 -0.242878
C 4.817824 -0.426736 0.003357
C -7.785803 -0.199238 -0.021331
C -9.209253 -0.798633 -0.008541
C -6.677290 -1.275498 -0.201934
C -10.309709 0.271777 0.170026
C -5.288567 -0.671252 -0.220437
C -2.811997 0.560130 -0.239329
C 6.172014 0.284205 0.043842
C -11.739617 -0.316024 0.180544
C -4.668407 -0.224578 -1.414264
C -4.531355 -0.463751 0.960970
C -12.829985 0.762782 0.358041
C 8.554475 -0.344204 0.133851
C 8.975331 1.010047 0.135040
C 9.512885 -1.388808 0.175216
C 10.358546 1.305118 0.177703
C 10.885864 -1.077715 0.217267
C 11.319548 0.271775 0.218848
H 1.138434 1.562440 0.731598
H 1.197172 1.523930 -1.044367
H 2.213049 -0.796260 -0.962345
H 2.150753 -0.762508 0.812621
H -0.427372 -0.427869 0.730816
H -0.360142 -0.479843 -1.049370
H 3.686265 1.248887 0.832012
H 3.744553 1.223625 -0.944304
H -1.366683 1.830482 -1.163676
H -1.392258 1.899967 0.632912
H 4.788862 -1.093003 -0.880061
H 4.726516 -1.073446 0.897087
H -7.702689 0.546436 -0.837614
H -7.605004 0.352862 0.923003
H -9.287552 -1.546355 0.808347
H -9.384662 -1.351761 -0.955017
H -6.757460 -2.014199 0.619876
H -6.862376 -1.825035 -1.145948
H -10.135344 0.824148 1.116946
H -10.229309 1.020765 -0.645326
H -11.820758 -1.063532 0.996004
H -11.913680 -0.868054 -0.765672
H 6.317612 0.912402 -0.860426
H 6.251788 0.932928 0.941789
H -5.161990 -0.358903 -2.385675
H -4.913238 -0.793970 1.935966
H -13.842580 0.319260 0.362332
H -12.695748 1.308391 1.311137
H -12.789488 1.505266 -0.461221
H 8.249986 1.828343 0.103397
H 9.159271 -2.424624 0.173183
H 10.680647 2.352882 0.178470
H 11.620533 -1.890266 0.248789
H 12.387850 0.509979 0.251624


