%chk=000146869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146869

0 1
 O    3.041300      0.8618000     -0.5088000    
 O   -3.074600     -0.1952000      0.3048000    
 O   -4.773200      -1.986400     -0.7875000    
 N   -4.461400     -0.1088000      0.5269000    
 C    5.023400     -0.4682000     -0.3199000    
 C    5.879400      -1.335400      0.5988000    
 C    3.800300      7.8800000E-02  0.4022000    
 C    1.688800      0.9227000     -0.2943000    
 C   -1.054400       1.048700      0.1391000    
 C    7.076500      -1.914600     -0.1378000    
 C   0.8290000       1.091000      -1.373400    
 C    1.191400      0.8169000      0.9994000    
 C  -0.5474000       1.154200      -1.156000    
 C  -0.1850000      0.8800000       1.216800    
 C   -2.525700       1.115300      0.3718000    
 C   -5.214700      -1.068100     -0.1000000    
 C   -6.693700     -0.8926000      0.1178000    
 H    4.698700      -1.047300      -1.193700    
 H    5.616100      0.3655000     -0.7169000    
 H    6.231800     -0.7410000       1.449800    
 H    5.277800      -2.157300       1.004100    
 H    3.224200     -0.7764000      0.7791000    
 H    4.111700      0.7079000       1.244200    
 H    7.676400      -2.530700      0.5392000    
 H    7.717400      -1.119100     -0.5311000    
 H    6.755800      -2.543200     -0.9747000    
 H    1.219900       1.173000      -2.383600    
 H    1.834900      0.7132000       1.867500    
 H   -1.214400       1.283600      -2.004200    
 H  -0.5679000      0.8005000       2.230900    
 H   -2.730400       1.557700       1.355600    
 H   -3.000600       1.757100     -0.3817000    
 H   -4.817000      0.6859000       1.047100    
 H   -7.147200      -1.869100      0.3097000    
 H   -7.136600     -0.4539000     -0.7803000    
 H   -6.901200     -0.2418000      0.9719000    


%chk=000146869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146869

0 1
O 2.699927 -0.350827 -0.612563
O -3.428676 -0.480073 0.996107
O -4.448623 0.268928 -1.515959
N -4.817184 -0.230330 0.731793
C 5.092113 -0.676537 -0.474676
C 6.360236 -0.696473 0.410683
C 3.836666 -0.327863 0.327346
C 1.425060 -0.054635 -0.109514
C -1.235481 0.522742 0.689092
C 7.632062 -1.039872 -0.394372
C 0.371943 -0.094052 -1.061555
C 1.150889 0.267439 1.243242
C -0.943170 0.193400 -0.664674
C -0.179965 0.549385 1.627965
C -2.651604 0.830978 1.085065
C -5.247264 0.034384 -0.562482
C -6.767286 0.057485 -0.713610
H 4.949787 -1.664818 -0.952305
H 5.213623 0.060568 -1.291374
H 6.487869 0.291808 0.898065
H 6.229371 -1.434677 1.228168
H 3.664170 -1.067697 1.137382
H 3.923254 0.681670 0.782078
H 8.528270 -1.050118 0.252302
H 7.802380 -0.299987 -1.198643
H 7.543958 -2.035552 -0.867868
H 0.613711 -0.350074 -2.097632
H 1.948090 0.298486 1.991361
H -1.766268 0.154855 -1.387567
H -0.392606 0.792137 2.676617
H -2.730898 1.205834 2.122967
H -3.131692 1.533981 0.383775
H -5.438370 -0.524270 1.489237
H -7.057273 -0.701241 -1.460815
H -7.077138 1.042570 -1.101428
H -7.310479 -0.142854 0.226593


