%chk=000162669.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162669

0 1
 O    2.381300      0.8883000      -1.564600    
 O  -0.7404000      0.6486000       1.359000    
 O  -0.2758000       1.383100     -0.7740000    
 N   -4.326100      0.4459000      0.5201000    
 C    2.531900       1.061600     -0.1564000    
 C    2.517200       2.550100      0.1843000    
 C    3.944800      0.6434000      0.2425000    
 C    3.901600       3.042200     -0.2347000    
 C    4.821400       1.821700     -0.1815000    
 C    1.449700      0.2666000      0.5567000    
 C    1.506800      -1.221900      0.2340000    
 C   6.4900003E-02  0.8442000      0.2713000    
 C   0.7004000      -1.748400     -0.7750000    
 C    2.365400      -2.057800      0.9482000    
 C   -2.083500       1.125400       1.227700    
 C   0.7526000      -3.110800      -1.069900    
 C    2.417700      -3.420100      0.6530000    
 C   -2.944100      1.0400000E-02  0.6553000    
 C    1.611300      -3.946600     -0.3558000    
 C   -5.230300     -0.7058000      0.4748000    
 C   -4.495400       1.268500     -0.6801000    
 C   -4.952300      -1.574500     -0.7403000    
 C   -5.919200       1.786100     -0.7946000    
 H    2.388500       2.705700       1.262500    
 H    1.742300       3.115300     -0.3429000    
 H    4.287100     -0.2701000     -0.2543000    
 H    4.031100      0.5134000       1.328000    
 H    3.872800       3.440300      -1.255700    
 H    4.253100       3.846100      0.4199000    
 H    5.651500       1.969000      0.5170000    
 H    5.255800       1.640700      -1.171600    
 H    1.602900      0.3826000       1.640600    
 H    1.554800       1.319600      -1.839500    
 H   3.1800002E-02  -1.129200      -1.364200    
 H    2.990300      -1.667700       1.746400    
 H   -2.426900       1.388200       2.235000    
 H   -2.106500       2.048400      0.6390000    
 H   0.1274000      -3.520700      -1.857900    
 H    3.084100      -4.071500       1.210900    
 H   -2.514500     -0.3399000     -0.2920000    
 H   -2.864100     -0.8391000       1.347700    
 H    1.652000      -5.007300     -0.5856000    
 H   -6.282800     -0.4050000      0.5037000    
 H   -5.095500      -1.306800       1.383700    
 H   -4.188400      0.7740000      -1.608500    
 H   -3.859500       2.157600     -0.5991000    
 H   -5.203500      -1.089100      -1.687400    
 H   -3.924300      -1.944100     -0.7899000    
 H   -5.589900      -2.465300     -0.6832000    
 H   -6.624500       1.012000      -1.111700    
 H   -6.269600       2.220600      0.1480000    
 H   -5.961300       2.577300      -1.551700    


%chk=000162669-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162669

0 1
O 2.355819 1.315415 -1.774225
O -0.647136 0.667495 1.287157
O -0.271473 1.389750 -0.891575
N -4.317422 0.349211 0.409504
C 2.617860 1.229564 -0.318916
C 2.642375 2.670893 0.276513
C 4.081977 0.718413 -0.176930
C 4.050244 3.183855 -0.100539
C 4.954867 1.957575 0.196141
C 1.565891 0.313040 0.397022
C 1.603018 -1.180009 0.027602
C 0.147522 0.846885 0.168931
C 1.675949 -1.625663 -1.318193
C 1.533896 -2.144712 1.065612
C -2.090208 1.060223 1.166668
C 1.685104 -3.008005 -1.610134
C 1.541975 -3.526572 0.772303
C -2.920007 -0.102772 0.586480
C 1.615926 -3.963801 -0.570182
C -5.347470 -0.619666 0.857046
C -4.561359 0.995692 -0.906166
C -5.497651 -1.905491 -0.001798
C -5.818368 1.885015 -0.920876
H 2.542453 2.629517 1.380731
H 1.820582 3.293523 -0.119727
H 4.379276 0.285407 -1.146497
H 4.158624 -0.083914 0.578501
H 4.075554 3.421273 -1.179749
H 4.347539 4.087013 0.461760
H 5.210766 1.936280 1.273362
H 5.904297 1.985396 -0.366781
H 1.751194 0.385005 1.484046
H 1.395965 1.581265 -1.873739
H 1.753486 -0.885979 -2.120512
H 1.468444 -1.809962 2.108297
H -2.397729 1.294266 2.196200
H -2.162185 1.956741 0.527789
H 1.748305 -3.339237 -2.653090
H 1.491785 -4.257761 1.587154
H -2.452713 -0.449420 -0.362811
H -2.888884 -0.952274 1.292314
H 1.621683 -5.034930 -0.802084
H -6.319518 -0.094439 0.902429
H -5.103706 -0.903847 1.898723
H -4.624447 0.245933 -1.733395
H -3.679043 1.623355 -1.132368
H -5.813978 -1.672192 -1.034578
H -4.546219 -2.466507 -0.054524
H -6.260683 -2.572724 0.440814
H -6.745323 1.297266 -0.792797
H -5.767855 2.630786 -0.107907
H -5.894897 2.419024 -1.885803


