%chk=000158670.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158670

0 1
 O  -0.8813000     -0.3063000      -1.993600    
 O   -1.116000      -2.765800      -1.064100    
 O   -3.723800      -2.324000     -5.6100000E-02
 O    3.823000      -1.828800       1.024900    
 O    4.889100      0.1814000      0.2365000    
 N   -1.650700       2.061800     -0.3995000    
 C   -1.585900      0.6929000      0.1659000    
 C  -0.6870000     -0.3769000     -0.5618000    
 C   -1.284100      0.9476000       1.655200    
 C   -1.315900      -1.732500     -0.1151000    
 C   -2.420000       2.829400      0.6139000    
 C   -2.047800       2.234500       1.971900    
 C   -2.932000     -4.1400000E-02  0.1022000    
 C   0.8069000     -0.1963000     -0.3487000    
 C  -0.3529000       2.752300     -0.5734000    
 C   -2.758100      -1.362100     -2.4900001E-02
 C   0.6726000       2.094500      -1.494000    
 C    1.448500      0.9909000     -0.8113000    
 C    1.588300      -1.183700      0.2829000    
 C    2.835900       1.166000     -0.6377000    
 C    2.944100     -0.9713000      0.4367000    
 C    3.551800      0.1714000     -1.1200000E-02
 C   -4.859700      -1.942800      0.7064000    
 C    5.055000      -1.090700      0.8949000    
 H  -0.2156000       1.112900       1.834000    
 H   -1.597300      0.1350000       2.320900    
 H  -0.9758000      -2.067200      0.8710000    
 H   -3.493300       2.703500      0.4283000    
 H   -2.238300       3.910200      0.5760000    
 H   -2.948100       2.023400       2.559300    
 H   -1.416800       2.917200       2.550900    
 H   -3.886500      0.4553000      0.2002000    
 H   0.1236000       2.974900      0.3911000    
 H  -0.5827000       3.726600      -1.026800    
 H    1.376000       2.877200      -1.809700    
 H   0.2213000       1.745300      -2.428200    
 H   -1.824500     -0.1754000      -2.184000    
 H    1.163600      -2.111700      0.6474000    
 H   -1.602900      -3.548700     -0.7544000    
 H    3.337600       2.064200     -0.9840000    
 H   -5.496300      -2.827200      0.8131000    
 H   -5.451700      -1.182500      0.1856000    
 H   -4.589000      -1.613300       1.716600    
 H    5.766800      -1.693800      0.3197000    
 H    5.467900     -0.9174000       1.895400    


%chk=000158670-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158670

0 1
O -1.021601 -0.311913 -1.840569
O -1.022227 -2.799147 -0.959937
O -3.645038 -2.476484 0.342836
O 3.924719 -1.917681 1.122233
O 4.987405 0.071660 0.298042
N -1.731904 1.953928 -0.447267
C -1.599656 0.661053 0.347757
C -0.687203 -0.394672 -0.383138
C -1.210695 1.150793 1.780553
C -1.283652 -1.784856 0.041755
C -2.573991 2.785751 0.488347
C -2.101101 2.425823 1.952159
C -2.938781 -0.086965 0.410269
C 0.820284 -0.234643 -0.225926
C -0.442071 2.714431 -0.666942
C -2.749071 -1.427102 0.264499
C 0.672260 2.016205 -1.476324
C 1.454809 0.939344 -0.735069
C 1.594732 -1.255966 0.396634
C 2.862088 1.111754 -0.599693
C 2.969635 -1.058546 0.513077
C 3.594175 0.104641 0.030477
C -5.047284 -2.098116 0.563953
C 5.241275 -1.303549 0.811700
H -0.136228 1.402377 1.826401
H -1.414783 0.388047 2.549536
H -0.851165 -2.175411 0.979532
H -3.638371 2.537799 0.342703
H -2.446934 3.855058 0.249987
H -2.972345 2.220507 2.598675
H -1.535080 3.252384 2.415030
H -3.882870 0.411776 0.634948
H -0.004837 3.058027 0.298537
H -0.743426 3.620657 -1.225872
H 1.376432 2.815863 -1.774785
H 0.249967 1.596510 -2.406418
H -1.674534 0.444216 -1.924859
H 1.144738 -2.187680 0.741450
H -1.148303 -2.332528 -1.834345
H 3.356046 2.007359 -0.986917
H -5.609738 -3.042558 0.578009
H -5.409020 -1.449214 -0.256785
H -5.162022 -1.570121 1.530895
H 5.739737 -1.894835 0.020107
H 5.833630 -1.235374 1.737146


