%chk=000060006.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060006

0 1
 O   -2.793000      0.3044000     -0.3248000    
 O   -1.962900      -1.820200     -0.1603000    
 O    4.219000      0.6163000     -5.1600002E-02
 N   -6.984900      0.1589000      0.2562000    
 N  -0.5648000      5.6699999E-02 -0.2166000    
 C   -4.114700     -0.2196000     -0.3486000    
 C   -4.656500     -0.3316000       1.074300    
 C   -4.997500      0.6977000      -1.189600    
 C   -6.136700     -0.7173000       1.075600    
 C   -6.466200      0.2770000      -1.113300    
 C   -7.198100       1.462700      0.8804000    
 C   -8.197900       2.291800      9.2399999E-02
 C   -1.773700     -0.6117000     -0.2260000    
 C    7.975400      0.4713000      0.1077000    
 C    6.574600       1.069300     -2.2000000E-03
 C   0.7338000     -0.4945000     -0.1286000    
 C    9.046900       1.561200      0.1069000    
 C    5.499100     -7.0000002E-03  4.0199999E-02
 C    1.849000      0.3432000     -0.1337000    
 C    3.130500     -0.2009000     -4.6900000E-02
 C   0.9000000      -1.876400     -3.6800001E-02
 C    10.44110      0.9719000      0.2502000    
 C    3.296500      -1.582800      4.5000002E-02
 C    2.181400      -2.420600      5.0000001E-02
 H   -4.131400      -1.209900     -0.8238000    
 H   -4.080800      -1.078800       1.633700    
 H   -4.502700      0.6143000       1.608900    
 H   -4.876100       1.739100     -0.8662000    
 H   -4.657400      0.6747000      -2.232400    
 H   -6.509600     -0.7528000       2.106700    
 H   -6.235100      -1.742700      0.6958000    
 H   -6.560200     -0.7116000      -1.584200    
 H   -7.079200      0.9268000      -1.745000    
 H   -6.270600       2.032200       1.006000    
 H   -7.616100       1.311500       1.883600    
 H   -7.766900       2.708200     -0.8230000    
 H   -9.091900       1.713800     -0.1655000    
 H   -8.524900       3.143800      0.6992000    
 H  -0.6112000       1.070700     -0.2807000    
 H    8.052200     -0.1156000       1.031100    
 H    8.149400     -0.2173000     -0.7281000    
 H    6.402000       1.784500      0.8120000    
 H    6.478700       1.645000     -0.9313000    
 H    8.867700       2.261000      0.9314000    
 H    8.992000       2.136300     -0.8247000    
 H    5.588300     -0.5511000      0.9888000    
 H    5.656600     -0.6821000     -0.8104000    
 H    1.727100       1.421600     -0.2050000    
 H   8.5000001E-02  -2.586700     -2.6799999E-02
 H    11.19160       1.768600      0.2459000    
 H    10.66510      0.2894000     -0.5758000    
 H    10.53870      0.4186000       1.189800    
 H    4.260100      -2.075100      0.1171000    
 H    2.310800      -3.496800      0.1219000    


%chk=000060006-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060006

0 1
O -2.718541 0.198499 -0.485688
O -2.052254 -2.044561 -0.160849
O 4.235387 0.328791 -0.061699
N -6.983372 0.384410 0.186230
N -0.515522 -0.238224 -0.287000
C -4.156051 -0.228586 -0.476348
C -4.671380 -0.354126 0.967055
C -4.934217 0.830200 -1.266095
C -6.207355 -0.631438 0.938384
C -6.461456 0.509929 -1.196343
C -7.185640 1.664173 0.913319
C -8.352200 2.492918 0.341866
C -1.770774 -0.826374 -0.292903
C 8.034753 0.611282 0.147502
C 6.550484 1.019532 0.003133
C 0.747998 -0.871287 -0.129910
C 8.995295 1.820034 0.064592
C 5.609991 -0.184262 0.089333
C 1.891550 -0.038764 -0.162571
C 3.181014 -0.596606 -0.012163
C 0.889722 -2.274407 0.055012
C 10.478925 1.417827 0.206378
C 3.341832 -1.993026 0.172615
C 2.185693 -2.805974 0.202370
H -4.210750 -1.216357 -0.975807
H -4.146207 -1.175272 1.487865
H -4.465513 0.587794 1.511064
H -4.731583 1.829623 -0.835971
H -4.597130 0.847418 -2.319274
H -6.599516 -0.691380 1.969679
H -6.384590 -1.618641 0.464250
H -6.651160 -0.450323 -1.717830
H -7.032974 1.284246 -1.735938
H -6.267541 2.302790 0.949215
H -7.419877 1.399551 1.962363
H -8.147802 2.845127 -0.685585
H -9.273676 1.885541 0.319491
H -8.529495 3.386809 0.968375
H -0.520105 0.775961 -0.415298
H 8.188039 0.091268 1.116386
H 8.301251 -0.119019 -0.645159
H 6.278540 1.743218 0.795499
H 6.391282 1.529642 -0.966372
H 8.729863 2.549726 0.856244
H 8.841232 2.340291 -0.902486
H 5.710454 -0.697829 1.068654
H 5.825184 -0.915854 -0.717797
H 1.806965 1.044828 -0.303199
H 0.005334 -2.912563 0.079539
H 11.144331 2.298154 0.141609
H 10.776237 0.710428 -0.590791
H 10.665436 0.924347 1.178966
H 4.330727 -2.443601 0.290448
H 2.300763 -3.886483 0.344539


