%chk=000052350.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052350

0 1
 O  -3.7799999E-02   1.936700     -0.3184000    
 O   -1.772600      0.3913000      -2.109800    
 N    3.293000      0.3924000     -0.1034000    
 N   -1.969700       3.830500      0.5939000    
 C    3.313400      6.7599997E-02   1.324900    
 C    3.038200     -0.8151000     -0.8927000    
 C    2.293500       1.412000     -0.3853000    
 C   0.9006000      0.9068000     -4.4900000E-02
 C   -1.367500       1.521800     -1.8200001E-02
 C    1.950600     -0.4576000       1.767500    
 C    3.708500       1.306700       2.122000    
 C    4.091500      -1.877200     -0.5898000    
 C    3.029400     -0.4597000      -2.376100    
 C   -2.364200       2.679400     -0.2254000    
 C   -1.685600      0.3032000     -0.8858000    
 C   -3.810600       2.320100      0.1198000    
 C   -1.902700      -1.026600     -0.2473000    
 C   -2.425500      -1.070600       1.025800    
 C   -1.572900      -2.160800     -0.9546000    
 C   -2.628800      -2.314500       1.623100    
 C   -1.776400      -3.404800     -0.3572000    
 C   -2.304400      -3.481700      0.9317000    
 H    4.095100     -0.6653000       1.549200    
 H    2.085000      -1.313900     -0.7053000    
 H    2.328400       1.752100      -1.427000    
 H    2.493400       2.349600      0.1466000    
 H   0.6319000      2.1900000E-02 -0.6138000    
 H   0.6827000      0.8635000      0.9980000    
 H   -1.386500       1.266900       1.045600    
 H    2.221100      -1.245900       2.495300    
 H    1.406400      0.2022000       2.457200    
 H    1.333900      -1.072500       1.109900    
 H    4.609100       1.777800       1.711900    
 H    3.940800       1.019400       3.154700    
 H    2.917300       2.060600       2.185900    
 H    4.056600      -2.676400      -1.340000    
 H    5.106400      -1.463800     -0.6138000    
 H    3.931100      -2.369400      0.3748000    
 H    2.122400      7.1400002E-02  -2.681700    
 H    3.060300      -1.369600      -2.987500    
 H    3.902600      0.1406000      -2.656800    
 H   -2.325600       3.001600      -1.273100    
 H   -4.176000       1.507100     -0.5157000    
 H   -3.908300       2.004600       1.164400    
 H   -4.474200       3.178400     -3.5500001E-02
 H   -1.998000       3.575700       1.580800    
 H  -0.9991000       4.070800      0.3948000    
 H   -2.726000     -0.1907000       1.581900    
 H   -1.154600      -2.115600      -1.955500    
 H   -3.047800      -2.375200       2.623300    
 H   -1.522300      -4.313700     -0.8948000    
 H   -2.464300      -4.450300       1.396100    


%chk=000052350-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052350

0 1
O -0.062663 1.604710 -0.125911
O -1.119521 -0.458885 -1.762262
N 3.547866 0.587481 0.122934
N -1.962673 3.597395 -0.185691
C 4.095145 0.152345 1.446288
C 3.610522 -0.442238 -0.966238
C 2.326434 1.420811 0.144286
C 0.976153 0.693508 0.385949
C -1.441382 1.134111 0.032984
C 3.358233 -1.048916 2.113497
C 4.210888 1.331745 2.437333
C 5.049944 -0.987811 -1.132478
C 3.129960 0.136090 -2.318990
C -2.301590 2.260709 -0.680519
C -1.674793 -0.222381 -0.644047
C -3.815268 2.020200 -0.552442
C -2.599633 -1.236334 -0.026186
C -3.129958 -1.125668 1.289381
C -2.945821 -2.373483 -0.810053
C -3.985302 -2.124698 1.802879
C -3.801103 -3.367474 -0.298508
C -4.325043 -3.246274 1.011958
H 5.131326 -0.177224 1.242627
H 2.949765 -1.317613 -0.734977
H 2.227305 1.931119 -0.828860
H 2.452434 2.218762 0.894402
H 0.946851 -0.261227 -0.175502
H 0.792581 0.484222 1.462442
H -1.699739 1.110411 1.112981
H 3.915108 -1.389440 3.007031
H 2.339524 -0.768229 2.438223
H 3.274432 -1.907604 1.422438
H 4.690024 2.200095 1.950906
H 4.831381 1.030364 3.301094
H 3.227933 1.647208 2.834340
H 5.092531 -1.653827 -2.013224
H 5.755152 -0.150988 -1.290089
H 5.392058 -1.575902 -0.262556
H 2.053105 0.378247 -2.325310
H 3.299671 -0.612368 -3.113811
H 3.702249 1.047627 -2.573781
H -2.002981 2.202908 -1.744949
H -4.117544 1.055964 -0.994624
H -4.135797 2.022394 0.508417
H -4.353650 2.829861 -1.073504
H -2.372644 3.817471 0.729696
H -0.952999 3.779124 -0.210911
H -2.875844 -0.271335 1.924443
H -2.525467 -2.447076 -1.818696
H -4.384288 -2.030829 2.818841
H -4.061444 -4.235374 -0.914236
H -4.989625 -4.019882 1.412688


