%chk=000159210.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159210

0 1
 O  -0.8105000      -2.380200      0.5741000    
 O   -1.386300       2.244600      0.3344000    
 O    5.919000      -1.662100     -0.3316000    
 O    5.746500      0.5229000     -0.4563000    
 N   -4.785800     -0.5479000     -0.1865000    
 N   -1.150600     -7.1500003E-02  0.5300000    
 N    5.238300     -0.6118000     -0.3122000    
 C   -5.594100     -0.7064000      -1.395000    
 C   -5.369600      0.5961000      0.5134000    
 C   -7.012700     -0.5004000     -0.8850000    
 C   -6.865400      0.3586000      0.3672000    
 C   -3.374000     -0.3560000     -0.4835000    
 C   -2.573900     -0.2362000      0.8052000    
 C    1.601400      0.2517000      0.1114000    
 C    1.085500      -1.042400      0.2668000    
 C   0.7804000       1.387600      0.1413000    
 C  -0.3665000      -1.238400      0.4722000    
 C  -0.6781000       1.240200      0.3449000    
 C    2.995700      0.4164000     -8.4799998E-02
 C    1.930000      -2.159100      0.2299000    
 C    1.324500       2.668200     -1.9900000E-02
 C    3.828600     -0.7121000     -0.1185000    
 C    3.525200       1.705800     -0.2438000    
 C    3.298100      -1.990800      3.7799999E-02
 C    2.694200       2.823400     -0.2116000    
 H   -5.468800      -1.694200      -1.849400    
 H   -5.356400      5.7300001E-02  -2.146700    
 H   -5.097400       1.548700      4.0800001E-02
 H   -5.097800      0.6364000       1.572500    
 H   -7.475800      -1.459300     -0.6243000    
 H   -7.643700     -1.6300000E-02  -1.637200    
 H   -7.414400       1.301500      0.2783000    
 H   -7.262200     -0.1811000       1.235200    
 H   -3.213400      0.5284000      -1.114200    
 H   -3.003400      -1.217200      -1.054100    
 H   -2.722700      -1.127600       1.427000    
 H   -2.896700      0.6255000       1.399300    
 H    1.540800      -3.166700      0.3498000    
 H   0.6987000       3.556300      1.9000000E-03
 H    4.538700       2.027300     -0.4002000    
 H    3.912400      -2.887500      1.7200001E-02
 H    3.111400       3.819000     -0.3356000    


%chk=000159210-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159210

0 1
O -0.858737 -2.391312 0.459186
O -1.415222 2.230023 0.781841
O 6.014919 -1.768066 -0.402081
O 5.891392 0.423598 -0.996977
N -4.816233 -0.428863 -0.133132
N -1.123361 -0.081329 0.662703
N 5.347716 -0.674105 -0.579197
C -5.660770 -1.060353 -1.176195
C -5.502180 0.791882 0.386180
C -7.089349 -0.745578 -0.691592
C -6.955149 0.712853 -0.171291
C -3.383097 -0.321241 -0.405826
C -2.575414 -0.273952 0.917354
C 1.679664 0.292703 0.140441
C 1.119066 -1.024878 0.185888
C 0.827790 1.425578 0.353866
C -0.334919 -1.237590 0.438081
C -0.629279 1.251622 0.611689
C 3.094544 0.489359 -0.120546
C 1.935469 -2.149709 -0.003060
C 1.353082 2.724451 0.320662
C 3.885189 -0.706602 -0.304055
C 3.595531 1.835395 -0.142317
C 3.319498 -1.990052 -0.240655
C 2.738576 2.920528 0.077810
H -5.451289 -2.143556 -1.242302
H -5.491151 -0.615626 -2.189135
H -4.987552 1.718011 0.042330
H -5.488085 0.800889 1.493134
H -7.360655 -1.427725 0.133837
H -7.841860 -0.847140 -1.492218
H -7.079302 1.422553 -1.009613
H -7.712072 0.960770 0.591724
H -3.136049 0.590059 -1.006507
H -3.063585 -1.208050 -0.982807
H -2.707705 -1.223854 1.457233
H -2.912283 0.570144 1.539037
H 1.478037 -3.142574 0.036723
H 0.674869 3.567089 0.487796
H 4.652540 2.004512 -0.346409
H 3.971420 -2.855660 -0.379120
H 3.145196 3.936495 0.057723


