%chk=000122607.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122607

0 1
 O   -3.143800     -0.9376000     -0.7534000    
 O   -6.354200       3.278200       1.282300    
 O    2.964700      -1.047600      0.2658000    
 O   -4.247500       4.062600      0.8622000    
 O    5.599400       3.769800      0.3738000    
 O    5.560300       3.497100      -1.896500    
 N   -5.299700     -0.3374000     -3.3000000E-03
 N   -5.792600      0.8431000      0.4984000    
 N    5.249400     -0.4140000      2.3399999E-02
 N    5.952000      0.7541000     -0.2702000    
 C   -3.639500       1.298000      2.3300000E-02
 C   -4.802200       1.783900      0.4754000    
 C   -3.950300     -0.1356000     -0.3103000    
 C   -6.008200      -1.510100     -0.1735000    
 C   -2.357800       1.914400     -0.1735000    
 C    3.699800       1.191200     -0.2686000    
 C   -5.383200      -2.650100     -0.6988000    
 C   -7.364000      -1.579900      0.1774000    
 C    3.852000     -0.2453000      4.7200002E-02
 C    5.869800      -1.629100      0.2694000    
 C    5.060200       1.686400     -0.4400000    
 C   -5.068400       3.157200      0.8818000    
 C   -1.197600       1.250600     -7.1599998E-02
 C    2.537100       1.845400     -0.3682000    
 C   -6.099000      -3.835100     -0.8698000    
 C   -8.079800      -2.764800      6.5000001E-03
 C    5.225700      -2.829100     -5.1700000E-02
 C    7.146700      -1.667100      0.8404000    
 C   -7.447100      -3.892500     -0.5171000    
 C   8.9900002E-02   1.879400     -0.2712000    
 C    1.251700       1.216000     -0.1695000    
 C    5.850400      -4.051700      0.1949000    
 C    7.771600      -2.889700       1.086900    
 C    5.431100       3.071000     -0.7663000    
 C    7.123300      -4.081800      0.7642000    
 H   -6.766200       1.101700      0.4115000    
 H   -2.349100       2.979900     -0.3849000    
 H   -4.346500      -2.695500      -1.000200    
 H   -7.891000     -0.7251000      0.5923000    
 H   -1.178500      0.1950000      0.1843000    
 H    2.541300       2.905500     -0.6088000    
 H   -5.607900      -4.713900      -1.277800    
 H   -9.129400      -2.810500      0.2820000    
 H    4.255000      -2.855900     -0.5367000    
 H    7.669700     -0.7518000       1.106600    
 H   -8.004500      -4.815200     -0.6500000    
 H    1.184400      0.1659000      7.4800000E-02
 H   8.9699998E-02   2.939600     -0.5149000    
 H    5.350500      -4.980100     -6.5600000E-02
 H    8.762400      -2.913600       1.531100    
 H    7.610700      -5.033600      0.9543000    
 H   -6.567400       4.193500       1.563600    
 H    5.847900       4.702900      0.2014000    


%chk=000122607-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122607

0 1
O -3.300555 -1.272219 -0.170545
O -6.683040 3.513045 -0.229390
O 3.188574 -1.379497 0.053170
O -4.459406 4.235159 -0.077215
O 6.679863 3.426152 0.402974
O 4.435735 4.022838 0.337240
N -5.511953 -0.343648 -0.186086
N -6.039060 0.947756 -0.114974
N 5.430938 -0.489707 0.184717
N 6.037308 0.765071 0.263141
C -3.765435 1.183865 -0.082752
C -5.002408 1.864387 -0.098816
C -4.065213 -0.266089 -0.153707
C -6.360853 -1.488245 -0.143692
C -2.455952 1.765660 -0.008262
C 3.726669 1.061123 0.181617
C -5.862996 -2.744093 -0.580120
C -7.697111 -1.366544 0.322071
C 3.989777 -0.401716 0.128729
C 6.263159 -1.656493 0.171530
C 5.040067 1.679372 0.261586
C -5.289553 3.298363 -0.124840
C -1.268681 1.039127 -0.003607
C 2.473992 1.676537 0.160291
C -6.717217 -3.865342 -0.557339
C -8.538768 -2.498171 0.324410
C 5.691234 -2.952519 0.084099
C 7.671234 -1.495878 0.248042
C -8.056298 -3.751553 -0.116755
C 0.011457 1.678689 0.070269
C 1.223680 0.987994 0.083354
C 6.540966 -4.079816 0.074525
C 8.500827 -2.634605 0.237074
C 5.318636 3.121687 0.334520
C 7.944132 -3.932936 0.150613
H -6.997591 1.149003 -0.403249
H -2.415647 2.861667 0.045726
H -4.826035 -2.829592 -0.910424
H -8.071616 -0.418137 0.723064
H -1.313298 -0.055838 -0.057018
H 2.466245 2.774303 0.207940
H -6.330536 -4.833707 -0.891818
H -9.567547 -2.401287 0.687196
H 4.607168 -3.066128 0.026190
H 8.089846 -0.489081 0.314398
H -8.711974 -4.628202 -0.108361
H 1.234716 -0.107891 0.035698
H 0.032862 2.779455 0.119871
H 6.096268 -5.078908 0.007005
H 9.587271 -2.505688 0.296410
H 8.594646 -4.814214 0.142758
H -6.868916 4.488729 -0.248729
H 6.771693 4.416461 0.450271


