%chk=000153399.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153399

0 1
 O    2.259100     -0.5860000      0.3844000    
 O    5.557600       1.746000     -0.3818000    
 O    2.902500       2.860500     -0.6981000    
 O    5.578700      -1.047600      -1.110600    
 O    1.255100       2.234900       1.537800    
 O    4.340100      -3.338400     -0.2354000    
 O    2.778000      -2.876300       1.359000    
 N   0.8604000       1.277900      0.6134000    
 C    4.391500      0.9903000     -0.7154000    
 C    3.172900       1.622700     -4.1800000E-02
 C    4.604100     -0.4515000     -0.2558000    
 C    1.952700      0.7039000     -0.1421000    
 C    3.300400      -1.238400     -0.3346000    
 C    3.418400      -2.550600      0.3705000    
 C  -0.4800000      0.9309000      0.4307000    
 C  -0.8436000     -2.4900001E-02 -0.5284000    
 C   -1.482300       1.533200       1.204100    
 C   -3.171100      0.2346000      6.4599998E-02
 C   -2.182400     -0.3712000     -0.7106000    
 C   -2.821100       1.186700       1.021900    
 C   -4.559500     -0.1255000     -0.1234000    
 C   -5.343100      0.5732000      -1.042200    
 C   -5.115200      -1.171800      0.6133000    
 C   -6.681900      0.2261000      -1.223900    
 C   -6.454000      -1.518900      0.4314000    
 C   -7.237200     -0.8199000     -0.4872000    
 H    4.293400       1.039600      -1.807400    
 H    3.452500       1.843400      0.9958000    
 H    5.005700     -0.4670000      0.7656000    
 H    1.677300      0.6197000      -1.201600    
 H    2.976900      -1.429800      -1.365100    
 H    6.292500       1.409900     -0.9217000    
 H    2.657400       2.667200      -1.619100    
 H    6.430200     -0.6121000     -0.9378000    
 H  -0.1124000     -0.5344000      -1.148300    
 H   -1.239000       2.277700       1.958000    
 H    1.088500       3.063000       1.055100    
 H   -2.438400      -1.117400      -1.459100    
 H   -3.579500       1.668100       1.634800    
 H    4.433800      -4.205100      0.2143000    
 H   -4.926000       1.391300      -1.624800    
 H   -4.518900      -1.727100       1.333400    
 H   -7.291800      0.7701000      -1.939100    
 H   -6.886700      -2.333400       1.004800    
 H   -8.279600      -1.090300     -0.6287000    


%chk=000153399-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153399

0 1
O 2.351288 -0.477034 0.551761
O 5.563063 1.939032 -0.677642
O 2.962226 3.038629 -0.623412
O 5.753041 -0.938124 -1.037961
O 1.129604 2.572232 1.347805
O 2.439699 -3.273938 0.502403
O 4.740208 -3.023524 0.655579
N 0.875086 1.481326 0.422249
C 4.416596 1.038177 -0.811920
C 3.265657 1.713628 -0.060550
C 4.699375 -0.346410 -0.213071
C 1.999150 0.843931 -0.152499
C 3.385846 -1.170584 -0.231478
C 3.610284 -2.556244 0.360274
C -0.462462 1.045881 0.318150
C -0.759142 -0.229636 -0.240410
C -1.530057 1.877354 0.749914
C -3.183087 0.201313 -0.009341
C -2.097992 -0.625553 -0.409861
C -2.860297 1.453430 0.584920
C -4.597398 -0.230842 -0.186847
C -5.627574 0.719662 -0.436360
C -4.964239 -1.604516 -0.113392
C -6.968975 0.315179 -0.603255
C -6.304444 -2.011396 -0.284676
C -7.316410 -1.053965 -0.529744
H 4.156824 0.915230 -1.886651
H 3.543988 1.814126 1.006564
H 5.032100 -0.237648 0.839848
H 1.766148 0.567780 -1.206027
H 3.054769 -1.301463 -1.289923
H 6.354797 1.482338 -1.061854
H 3.827910 3.508453 -0.750993
H 6.040726 -1.775797 -0.584867
H 0.049670 -0.919145 -0.498345
H -1.302564 2.833429 1.226545
H 1.558535 3.264448 0.752554
H -2.302437 -1.598038 -0.871952
H -3.665920 2.098855 0.952869
H 2.632022 -4.164808 0.905285
H -5.369620 1.780770 -0.530109
H -4.198874 -2.355873 0.112263
H -7.741844 1.066725 -0.801289
H -6.561781 -3.074609 -0.215168
H -8.357494 -1.369479 -0.660484


