%chk=000161441.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161441

0 1
 O    4.837200     -0.9430000     -0.7847000    
 O    2.380500      0.3129000       1.149800    
 O   0.6822000      -1.834900      0.9486000    
 O   -3.428600       2.346900     -0.5377000    
 O   -4.126700      -2.241300     -0.2261000    
 N   -1.914200      -1.499000      0.2555000    
 C    5.786200      9.5200002E-02 -0.5093000    
 C    4.584600     -0.1196000      0.3570000    
 C    3.371700      0.7342000      0.2150000    
 C    7.132700     -0.3918000     -0.1246000    
 C    5.788800       1.189600      -1.509500    
 C    1.077800      0.5056000      0.7997000    
 C   0.2018000     -0.5779000      0.6932000    
 C   0.6232000       1.792900      0.5482000    
 C   -1.132700     -0.4119000      0.3377000    
 C   -1.587600      0.9034000      8.2699999E-02
 C  -0.7067000       1.992100      0.1904000    
 C   -2.929500       1.100000     -0.2785000    
 C   -3.759800     -2.3200000E-02 -0.3693000    
 C   -3.189200      -1.258900     -9.2799999E-02
 C   -5.117500     -0.2750000     -0.6870000    
 C   -5.288400      -1.635700     -0.5848000    
 C    1.217000      -2.553300     -0.1572000    
 C   -4.502700       2.792600      0.2836000    
 H    4.728500     -0.5317000       1.346400    
 H    2.974500      0.6890000     -0.8073000    
 H    3.631800       1.773900      0.4435000    
 H    7.718600      0.4145000      0.3286000    
 H    7.075300      -1.208600      0.6032000    
 H    7.679800     -0.7645000     -0.9969000    
 H    6.527900      0.9992000      -2.295700    
 H    4.825100       1.316800      -2.012700    
 H    6.047200       2.140400      -1.031500    
 H    1.286000       2.649100      0.6338000    
 H   -1.040800       3.009600     -3.0000001E-04
 H   -5.883000      0.4343000     -0.9655000    
 H   -6.131800      -2.294600     -0.7306000    
 H   0.4364000      -2.761500     -0.8956000    
 H    1.609900      -3.505300      0.2104000    
 H    2.034600      -1.998600     -0.6270000    
 H   -4.395600       3.872700      0.4217000    
 H   -4.493900       2.321000       1.272600    
 H   -5.457100       2.610100     -0.2167000    


%chk=000161441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161441

0 1
O 5.620176 -0.347280 -1.447395
O 2.545250 -0.386192 -0.087855
O 0.723296 -2.254209 0.420862
O -3.220930 2.438351 -0.297652
O -4.397951 -2.162705 0.629576
N -2.084618 -1.640829 0.387219
C 6.237491 0.570139 -0.395184
C 4.908796 -0.087675 -0.137496
C 3.589112 0.645848 -0.204256
C 7.473815 -0.008031 0.275751
C 6.334545 2.034650 -0.800065
C 1.209989 0.034197 -0.086007
C 0.242802 -0.980218 0.127309
C 0.806400 1.389423 -0.291545
C -1.154645 -0.634721 0.139056
C -1.549967 0.749457 -0.084512
C -0.544106 1.737668 -0.295363
C -2.952443 1.092915 -0.066573
C -3.898469 0.075880 0.177954
C -3.342825 -1.243816 0.392330
C -5.346265 -0.075382 0.296219
C -5.589049 -1.403280 0.560582
C 0.207331 -3.406955 -0.351746
C -4.609920 2.913503 -0.303388
H 4.888214 -0.958243 0.532486
H 3.497376 1.187315 -1.165521
H 3.494515 1.365815 0.637267
H 7.682459 0.511612 1.229940
H 7.340504 -1.082940 0.483404
H 8.357843 0.107036 -0.377689
H 7.211314 2.187705 -1.455018
H 5.441102 2.371992 -1.350417
H 6.463328 2.677016 0.091597
H 1.556619 2.166651 -0.461537
H -0.849120 2.773864 -0.458592
H -6.119911 0.681226 0.202270
H -6.502419 -1.968608 0.724409
H -0.873385 -3.531546 -0.182942
H 0.772697 -4.270092 0.031321
H 0.422236 -3.266699 -1.428495
H -4.537810 3.991677 -0.506755
H -5.087464 2.750180 0.679521
H -5.192413 2.421001 -1.102774


