%chk=000158895.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158895

0 1
 O   0.3583000      0.2976000       1.704700    
 O    3.367400      0.2237000     -4.6999998E-02
 O    1.272000       1.211000      -2.703400    
 O    5.092400       1.559900      0.7032000    
 N  -0.6144000      0.3752000      -1.626300    
 N    1.156600      0.8997000     -0.3909000    
 C   -1.074800      5.0299998E-02 -0.2786000    
 C   0.2129000      0.4229000      0.4933000    
 C   -1.353200      -1.443900     -7.4199997E-02
 C   -2.282800      0.9385000      3.6100000E-02
 C   0.6853000      0.8733000      -1.683500    
 C    2.479900       1.343300       0.000000    
 C   -1.730000      -1.921700       1.183200    
 C   -3.475300      0.7779000     -0.6733000    
 C   -1.230600      -2.333100      -1.144400    
 C   -2.196200       1.912700       1.033300    
 C   -1.982700      -3.280900       1.369200    
 C   -4.575000       1.586800     -0.3871000    
 C   -1.483500      -3.692200     -0.9585000    
 C   -3.295900       2.721600       1.319600    
 C   -1.859500      -4.166000      0.2985000    
 C   -4.485300       2.558600      0.6094000    
 C    4.654200      0.4788000      0.3351000    
 C    5.457900     -0.7958000      0.2276000    
 C    6.902100     -0.5984000      0.6542000    
 H   -1.190400      0.2661000      -2.456000    
 H    2.439900       1.741300       1.019500    
 H    2.821800       2.108500     -0.7050000    
 H   -1.837900      -1.249100       2.029700    
 H   -3.563500      2.7600000E-02  -1.454600    
 H  -0.9414000      -2.008500      -2.139000    
 H   -1.294000       2.090000       1.607100    
 H   -2.277000      -3.649700       2.347400    
 H   -5.501000       1.460500     -0.9405000    
 H   -1.387900      -4.381900      -1.792000    
 H   -3.226100       3.480500       2.093500    
 H   -2.056700      -5.224200      0.4431000    
 H   -5.341200       3.189000      0.8317000    
 H    5.430100      -1.136300     -0.8129000    
 H    4.992500      -1.554100      0.8661000    
 H    6.962200     -0.2601000       1.693900    
 H    7.457200      -1.537400      0.5670000    
 H    7.397800      0.1517000      2.8999999E-02


%chk=000158895-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158895

0 1
O 0.688802 0.581519 1.427542
O 3.391063 0.394237 -0.683619
O 0.902979 1.599174 -3.163853
O 4.580300 1.261099 1.137227
N -0.783066 0.578679 -1.827442
N 1.141936 1.161663 -0.820876
C -1.004879 0.203588 -0.409224
C 0.354445 0.659030 0.225490
C -1.125072 -1.324212 -0.212364
C -2.214972 0.975697 0.158784
C 0.447591 1.151397 -2.086870
C 2.511277 1.595880 -0.688924
C -1.478381 -1.827426 1.065506
C -3.520603 0.513629 -0.150181
C -0.833528 -2.229262 -1.259868
C -2.065522 2.172839 0.899557
C -1.552594 -3.218787 1.284802
C -4.655755 1.243504 0.261444
C -0.915896 -3.623556 -1.039883
C -3.203020 2.899199 1.318517
C -1.276486 -4.122767 0.231571
C -4.500468 2.441532 0.997190
C 4.371917 0.330623 0.332139
C 5.094512 -1.003078 0.260275
C 6.214196 -1.130482 1.307750
H -1.526505 0.578629 -2.524010
H 2.664371 2.148897 0.253109
H 2.768446 2.195089 -1.576256
H -1.683961 -1.129438 1.883893
H -3.648079 -0.427981 -0.697748
H -0.538514 -1.847336 -2.242731
H -1.068741 2.534417 1.172247
H -1.823369 -3.597763 2.276376
H -5.658064 0.875950 0.015509
H -0.693801 -4.316100 -1.859364
H -3.074747 3.819796 1.898238
H -1.337489 -5.203327 0.402400
H -5.380750 3.006991 1.322045
H 5.485234 -1.121554 -0.768311
H 4.335194 -1.799037 0.384060
H 5.812220 -1.028977 2.330011
H 6.707715 -2.114399 1.220992
H 6.976266 -0.343877 1.173048


