%chk=000156776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156776

0 1
 O   0.4907000       2.815700       1.475100    
 O    1.890300      0.7368000       2.026400    
 O   -1.206900       1.884800      -1.193200    
 N    1.565300     -0.4393000      4.2700000E-02
 N   -1.602100       1.170500       1.001400    
 N    1.024900     -0.3745000      -1.230300    
 C   0.6294000       1.907300      0.3703000    
 C    1.404300       2.698800     -0.7086000    
 C    2.835800       3.074400     -0.2964000    
 C    1.403700      0.6651000      0.8918000    
 C    3.544700       3.961200      -1.324000    
 C  -0.8255000       1.654000     -4.8099998E-02
 C    4.936700       4.395700     -0.8911000    
 C    2.276400      -1.613000      0.4845000    
 C   -2.976100      0.8311000      0.9724000    
 C  -0.1502000      -1.077100      -1.554500    
 C    2.271400      -1.964400       1.834500    
 C    2.968800      -2.397600     -0.4378000    
 C   -3.601900      0.3574000       2.125500    
 C   -3.704500      0.9710000     -0.2091000    
 C    2.959000      -3.100100       2.262100    
 C    3.656300      -3.533500     -1.0100000E-02
 C  -0.5065000      -1.262100      -2.890400    
 C  -0.9593000      -1.588500     -0.5397000    
 C    3.651300      -3.884600       1.340000    
 C   -4.955900      2.3300000E-02   2.097300    
 C   -5.058500      0.6370000     -0.2372000    
 C   -1.671900      -1.958100      -3.211600    
 C   -2.124600      -2.284600     -0.8610000    
 C   -5.684100      0.1631000      0.9160000    
 C   -2.480800      -2.469400      -2.196900    
 H    1.441200       2.148500      -1.654400    
 H   0.8618000       3.630800     -0.9199000    
 H    3.429400       2.164800     -0.1481000    
 H    2.823600       3.608100      0.6604000    
 H    3.618800       3.423600      -2.276700    
 H    2.940400       4.857000      -1.510300    
 H    1.333600       2.848900       1.957500    
 H    4.894300       4.972900      3.7900001E-02
 H    5.582500       3.527300     -0.7270000    
 H    5.396400       5.022400      -1.661500    
 H   -1.143100       1.041800       1.900600    
 H    1.645400     -7.5199999E-02  -1.972700    
 H    1.691300      -1.434900       2.582400    
 H    2.996400      -2.140800      -1.493300    
 H   -3.045600      0.2430000       3.052400    
 H   -3.293800       1.327300      -1.142800    
 H    2.941800      -3.383700       3.310500    
 H    4.196600      -4.143900     -0.7278000    
 H   0.1154000     -0.8677000      -3.689900    
 H  -0.7160000      -1.475400      0.5124000    
 H    4.183600      -4.771000       1.672300    
 H   -5.443000     -0.3461000       2.994900    
 H   -5.626600      0.7440000      -1.156800    
 H   -1.949700      -2.101500      -4.251600    
 H   -2.754500      -2.683500     -7.1199998E-02
 H   -6.738200     -9.7599998E-02  0.8938000    
 H   -3.388600      -3.010600      -2.446700    


%chk=000156776-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156776

0 1
O 0.123273 2.188683 1.840290
O 1.745234 0.261426 2.082680
O -1.014747 1.240220 -1.460283
N 1.552597 -0.692773 -0.052861
N -2.037802 1.658874 0.618570
N 0.666846 -0.904399 -1.144067
C 0.404713 1.556506 0.549554
C 1.331747 2.478142 -0.313090
C 2.714050 2.772713 0.303636
C 1.230608 0.252565 0.913991
C 3.499779 3.811221 -0.530486
C -0.963121 1.435890 -0.198680
C 4.892723 4.115012 0.061148
C 2.717817 -1.566553 -0.006246
C -3.422714 1.697159 0.296938
C -0.360974 -1.883133 -0.971070
C 3.573601 -1.650114 1.125723
C 3.005754 -2.339882 -1.161532
C -4.326528 1.956382 1.362145
C -3.918414 1.494043 -1.018289
C 4.709311 -2.488542 1.076369
C 4.142642 -3.171719 -1.190277
C -1.392328 -1.941341 -1.947938
C -0.350592 -2.818522 0.096279
C 5.005563 -3.252592 -0.073446
C -5.712928 2.010451 1.116894
C -5.309878 1.551308 -1.246762
C -2.398067 -2.922905 -1.849966
C -1.364646 -3.798616 0.176910
C -6.214009 1.807587 -0.190569
C -2.392539 -3.861659 -0.789863
H 1.442110 2.031602 -1.319326
H 0.780620 3.429010 -0.447788
H 3.314804 1.844419 0.379450
H 2.585544 3.154113 1.335495
H 3.611108 3.439521 -1.569584
H 2.911018 4.748819 -0.596000
H 0.759360 1.752579 2.489569
H 4.808118 4.515710 1.088817
H 5.511835 3.199469 0.108748
H 5.436509 4.859491 -0.548574
H -1.747051 1.893580 1.581890
H 0.380815 -0.041750 -1.640084
H 3.349087 -1.080625 2.026781
H 2.336545 -2.275378 -2.021965
H -3.941889 2.111888 2.377809
H -3.217712 1.301595 -1.832439
H 5.360949 -2.544971 1.955544
H 4.350004 -3.759752 -2.091061
H -1.405546 -1.211674 -2.764641
H 0.439371 -2.792173 0.852254
H 5.885925 -3.903659 -0.097297
H -6.400761 2.210145 1.945723
H -5.688644 1.395039 -2.263032
H -3.192309 -2.952089 -2.604523
H -1.345778 -4.517232 1.004150
H -7.291601 1.849389 -0.381340
H -3.175801 -4.623597 -0.719877


