%chk=000156996.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156996

0 1
 O   -3.800900     -0.8489000      0.4354000    
 O    2.563000      -2.920400      0.6696000    
 O   -5.265300      0.2108000      -1.003100    
 N  -0.2046000       1.120400     -0.5146000    
 N    2.331600     -0.6019000      0.4323000    
 C  -0.5557000       1.026100      0.9170000    
 C   0.6922000      0.7948000       1.818400    
 C    2.093200       1.884900      0.1264000    
 C    1.695100       1.924800       1.599100    
 C   0.8439000       2.129000     -0.7469000    
 C   -1.630000     -5.3300001E-02   1.139800    
 C    1.434800     -0.5317000       1.592300    
 C   -1.379500       1.412700      -1.349800    
 C   -2.868700      0.2150000      0.2876000    
 C    2.733800      0.5584000     -0.2368000    
 C   -2.469300      0.3579000      -1.176000    
 C    3.656400      0.4908000      -1.212000    
 C    2.857200      -1.865900      0.1067000    
 C    4.226200     -0.7691000      -1.597800    
 C    3.856200      -1.903400     -0.9978000    
 C   -4.965000     -0.7220000     -0.2704000    
 C   -5.844800      -1.909000     -1.9600000E-02
 H  -0.9948000       1.986800       1.227700    
 H   0.3550000      0.8182000       2.863000    
 H    2.806400       2.699600     -5.5599999E-02
 H    2.572300       1.800700       2.246500    
 H    1.245800       2.893100       1.851100    
 H   0.4569000       3.136200     -0.5396000    
 H    1.136600       2.113500      -1.804800    
 H   -1.251600      -1.052800      0.8945000    
 H   -1.917500     -9.4300002E-02   2.197800    
 H    2.077800     -0.7180000       2.464400    
 H   0.7467000      -1.382000       1.559800    
 H   -1.084100       1.427100      -2.406100    
 H   -1.788500       2.403900      -1.113000    
 H   -3.340300       1.141900      0.6410000    
 H   -3.290300      0.6438000      -1.835400    
 H   -2.114900     -0.6105000      -1.555500    
 H    3.978200       1.374100      -1.753500    
 H    4.957200     -0.7771000      -2.398500    
 H    4.274100      -2.861900      -1.281600    
 H   -6.091100      -1.969400       1.043400    
 H   -5.340400      -2.820100     -0.3509000    
 H   -6.773400      -1.798700     -0.5869000    


%chk=000156996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156996

0 1
O -3.826112 -0.907209 0.306027
O 2.567851 -2.878483 0.784726
O -5.574612 0.439046 -0.460198
N -0.169960 1.138520 -0.551870
N 2.404347 -0.558439 0.424978
C -0.580255 1.020934 0.874764
C 0.659759 0.743510 1.778367
C 2.116556 1.912146 0.154304
C 1.669167 1.902747 1.631640
C 0.877023 2.167866 -0.746697
C -1.681445 -0.051609 1.046866
C 1.378542 -0.595245 1.509832
C -1.313149 1.384043 -1.469234
C -2.864296 0.226306 0.115392
C 2.798932 0.604463 -0.216199
C -2.393683 0.293957 -1.344570
C 3.789696 0.554500 -1.196582
C 2.974752 -1.861522 0.129985
C 4.380010 -0.698118 -1.547821
C 3.984052 -1.867493 -0.910620
C -5.161722 -0.666105 -0.038414
C -5.991072 -1.916238 0.159368
H -1.007949 2.002376 1.228762
H 0.285190 0.699968 2.819684
H 2.835300 2.731035 -0.030164
H 2.533530 1.762001 2.307161
H 1.193051 2.867610 1.890385
H 0.490955 3.196521 -0.512834
H 1.177955 2.158443 -1.810567
H -1.283213 -1.052901 0.804432
H -2.017170 -0.064208 2.100450
H 1.897971 -0.937383 2.425045
H 0.676410 -1.405869 1.255617
H -0.924412 1.407038 -2.503962
H -1.779445 2.385496 -1.269920
H -3.389969 1.163559 0.385065
H -3.241119 0.531253 -2.011522
H -1.970928 -0.684498 -1.637528
H 4.099941 1.483199 -1.682788
H 5.154194 -0.733067 -2.322850
H 4.417439 -2.841293 -1.153573
H -5.717791 -2.420968 1.100075
H -5.794451 -2.624490 -0.665946
H -7.059971 -1.657298 0.158537


