%chk=000157294.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157294

0 1
 O    5.111400      -1.095900       1.401000    
 O   -6.118000       3.763900      0.1502000    
 N  -8.3300002E-02  -2.347800     -0.2517000    
 N    3.359600      -1.057900     -0.1178000    
 N   -5.758500      -1.054100     -0.6096000    
 C    2.818300      -2.356000      0.2173000    
 C    2.177600      -3.019000      -1.004300    
 C    1.798700      -2.252300       1.354000    
 C   0.8485000      -2.360500      -1.387300    
 C   0.4819000      -1.619900      0.8923000    
 C   -1.364900      -1.764200     -0.6474000    
 C   -2.362600      -1.787300      0.5133000    
 C   -3.694300      -1.215000      0.1259000    
 C   -4.073000      0.1379000      0.2359000    
 C    4.476600     -0.5327000      0.5132000    
 C   -4.730800      -1.931800     -0.3914000    
 C   -5.385000      0.2171000     -0.2357000    
 C   -3.442300       1.314200      0.6876000    
 C    4.891600      0.8242000      7.3200002E-02
 C   -6.100900       1.418800     -0.2784000    
 C   -4.146200       2.523400      0.6508000    
 C   -5.455000       2.572600      0.1747000    
 C    5.573800       1.632100      0.9591000    
 C    4.581400       1.233000      -1.207100    
 C    5.963200       2.906300      0.5460000    
 C    4.970800       2.507000      -1.620200    
 C    5.661600       3.343800     -0.7437000    
 H    3.652800      -2.982800      0.5552000    
 H    1.998100      -4.079300     -0.7831000    
 H    2.861700      -2.984100      -1.860800    
 H    2.209200      -1.671400       2.188800    
 H    1.593100      -3.259500       1.740500    
 H    1.023300      -1.345100      -1.765000    
 H   0.4137000      -2.937600      -2.212900    
 H  -0.1652000      -1.671300       1.771400    
 H   0.6353000     -0.5598000      0.6527000    
 H   -1.233600     -0.7343000      -1.006800    
 H   -1.784500      -2.339300      -1.483200    
 H   -2.021600      -1.201000       1.371900    
 H   -2.499700      -2.816900      0.8694000    
 H    2.820100     -0.4844000     -0.7568000    
 H   -4.843000      -2.980600     -0.6283000    
 H   -6.661100      -1.302500     -0.9904000    
 H   -2.422100       1.294100       1.060200    
 H   -7.120100       1.452500     -0.6499000    
 H   -3.652500       3.426900       1.000800    
 H    5.811700       1.308700       1.968100    
 H    4.076500      0.6007000      -1.930100    
 H    6.500300       3.558300       1.228700    
 H    4.743200       2.845200      -2.627000    
 H    5.966100       4.335200      -1.065900    
 H   -5.532100       4.458800      0.4962000    


%chk=000157294-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157294

0 1
O 4.921622 -0.951838 1.655497
O -6.370395 3.689516 0.333848
N -0.092856 -2.144640 -0.181752
N 3.439106 -1.021628 -0.129349
N -6.005094 -1.105388 -0.779082
C 2.830831 -2.302358 0.298568
C 2.140363 -2.990073 -0.900132
C 1.804137 -2.100640 1.444635
C 0.846181 -2.259498 -1.321728
C 0.526306 -1.399941 0.946115
C -1.411289 -1.591049 -0.580785
C -2.548972 -1.997805 0.395626
C -3.877429 -1.385081 0.025784
C -4.276724 0.002928 0.216417
C 4.472912 -0.435879 0.579640
C -4.956493 -2.024600 -0.581090
C -5.616013 0.146688 -0.296982
C -3.643045 1.138858 0.782697
C 5.039057 0.847132 0.019352
C -6.322248 1.367764 -0.264578
C -4.332068 2.365076 0.826462
C -5.657626 2.470255 0.304424
C 5.779911 1.672820 0.903021
C 4.890548 1.243685 -1.336095
C 6.341178 2.884258 0.449323
C 5.456277 2.455023 -1.791726
C 6.177277 3.281737 -0.899103
H 3.660564 -2.925890 0.677711
H 1.870928 -4.018434 -0.597623
H 2.835468 -3.059492 -1.758765
H 2.275058 -1.518621 2.256402
H 1.534800 -3.094696 1.849217
H 1.095134 -1.248270 -1.754164
H 0.350352 -2.827804 -2.130267
H -0.201516 -1.334889 1.773707
H 0.770351 -0.346724 0.641176
H -1.380597 -0.476048 -0.673467
H -1.662113 -1.984062 -1.583935
H -2.275184 -1.694384 1.425349
H -2.613104 -3.100962 0.400921
H 3.022679 -0.526889 -0.919270
H -5.060773 -3.065843 -0.881452
H -6.908860 -1.323088 -1.191697
H -2.628197 1.069071 1.189809
H -7.338475 1.486950 -0.650729
H -3.851956 3.249986 1.264795
H 5.906588 1.333763 1.936420
H 4.371297 0.599099 -2.056012
H 6.907550 3.516590 1.141858
H 5.344702 2.748028 -2.841545
H 6.615407 4.221381 -1.253692
H -5.825756 4.396306 0.759848


