%chk=000039282.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039282

0 1
 O   -1.974700     -0.2164000       1.892900    
 O   0.1309000      -1.768400      0.5456000    
 N   0.4577000      0.4091000     -0.3039000    
 N    4.686300     -0.6122000     -0.2090000    
 C   -1.705300     -0.1297000      0.5075000    
 C   -1.622300       1.292900      2.1100000E-02
 C  -0.3345000       1.555900     -0.4493000    
 C  -0.2693000     -0.6467000      0.2672000    
 C    1.845800      0.3246000     -0.6923000    
 C    2.788100      0.8673000      0.3804000    
 C   -2.695200     -0.9587000     -0.2360000    
 C    4.274600      0.7664000      2.6400000E-02
 C   -2.597100       2.276900      3.0000000E-03
 C   1.7500000E-02   2.794000     -0.9583000    
 C   -3.763800      -1.547400      0.4420000    
 C   -2.555300      -1.148300      -1.611700    
 C   -2.259000       3.532600     -0.5077000    
 C  -0.9628000       3.788400     -0.9854000    
 C   -1.058200      0.5578000       2.659500    
 C    4.458800      -1.429200      0.9843000    
 C    6.095200     -0.6698000     -0.6024000    
 C   -4.690200      -2.323700     -0.2542000    
 C   -3.481800      -1.924400      -2.307800    
 C   -1.412300      0.4319000       4.125900    
 C   -4.549200      -2.512100      -1.629200    
 C    4.821700      -2.882800      0.7319000    
 C    6.354500      0.1720000      -1.840400    
 H    1.989300      0.8482000      -1.644200    
 H    2.068000     -0.7324000     -0.8775000    
 H    2.564000       1.932800      0.5267000    
 H    2.566500      0.4163000       1.354200    
 H    4.867200       1.229400      0.8263000    
 H    4.403300       1.382400     -0.8697000    
 H   -3.598400       2.084200      0.3724000    
 H    1.015200       3.006300      -1.325000    
 H   -3.917600      -1.423100       1.509900    
 H   -1.733800     -0.7017000      -2.165200    
 H   -3.005800       4.321600     -0.5355000    
 H  -0.7211000       4.772700      -1.377600    
 H  -2.8899999E-02  0.2053000       2.539500    
 H   -1.109700       1.622100       2.411400    
 H    3.399100      -1.445300       1.254900    
 H    5.015000      -1.052400       1.851900    
 H    6.377200      -1.691800     -0.8758000    
 H    6.761000     -0.3469000      0.2079000    
 H   -5.522600      -2.780400      0.2733000    
 H   -3.372400      -2.071200      -3.378400    
 H  -0.7267000       1.015200       4.747100    
 H   -2.435000      0.7795000       4.306800    
 H   -1.371700     -0.6154000       4.443400    
 H   -5.270900      -3.116100      -2.171200    
 H    4.383800      -3.254700     -0.2009000    
 H    5.903300      -3.046800      0.7083000    
 H    4.430900      -3.504700       1.545400    
 H    5.613800     -1.7000001E-02  -2.625200    
 H    6.379700       1.244000      -1.621300    
 H    7.337200     -8.1200004E-02  -2.254700    


%chk=000039282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039282

0 1
O -2.026761 -0.155349 1.867531
O 0.454470 -1.517914 0.630973
N 0.609886 0.651766 -0.298509
N 4.711338 -0.553051 0.035721
C -1.583763 0.005198 0.472191
C -1.553120 1.453814 0.000043
C -0.245859 1.777705 -0.448656
C -0.066425 -0.423922 0.297168
C 2.039169 0.607264 -0.636911
C 2.950294 1.191710 0.467460
C -2.461903 -0.932428 -0.363809
C 4.441569 0.898325 0.173218
C -2.570873 2.415742 -0.034845
C 0.068716 3.054120 -0.950997
C -2.811832 -2.198317 0.169515
C -2.872633 -0.593087 -1.676083
C -2.274009 3.713006 -0.531901
C -0.969671 4.019954 -0.986974
C -1.175178 0.511789 2.876632
C 4.711267 -1.287828 1.332397
C 5.896588 -0.867872 -0.803030
C -3.578370 -3.102969 -0.595615
C -3.634323 -1.503708 -2.442673
C -1.853828 0.296591 4.228733
C -3.991854 -2.760556 -1.904736
C 4.156933 -2.719951 1.198700
C 5.651761 -0.654582 -2.309784
H 2.195054 1.135648 -1.596997
H 2.320473 -0.450225 -0.779114
H 2.808076 2.285863 0.567400
H 2.659850 0.738886 1.434083
H 5.069320 1.371323 0.970402
H 4.720615 1.391045 -0.777459
H -3.577165 2.163771 0.316498
H 1.075525 3.304214 -1.300024
H -2.484495 -2.453632 1.180401
H -2.605247 0.381261 -2.098952
H -3.056646 4.478056 -0.565408
H -0.753191 5.022792 -1.372333
H -0.162901 0.056960 2.864237
H -1.086564 1.592835 2.640755
H 4.075561 -0.732513 2.046013
H 5.736865 -1.308993 1.777935
H 6.142825 -1.932942 -0.637688
H 6.795819 -0.282736 -0.479250
H -3.849163 -4.077099 -0.172856
H -3.949265 -1.230179 -3.456103
H -1.257358 0.762076 5.034779
H -2.862159 0.745240 4.233707
H -1.952463 -0.781301 4.443919
H -4.584133 -3.466115 -2.498634
H 3.103689 -2.688023 0.870192
H 4.732429 -3.310440 0.462239
H 4.209103 -3.249250 2.169172
H 4.792756 -1.263114 -2.642698
H 5.436767 0.402471 -2.551700
H 6.544437 -0.952430 -2.890973


