%chk=000104056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104056

1 1
 O   -2.264500       2.130300      0.5654000    
 O    4.379200      0.9184000      -1.109100    
 N   -3.615900     -0.5879000     -0.4924000    
 N    3.390400     -0.7078000      0.2824000    
 C   -3.056800     -0.1196000      0.8433000    
 C   -2.493600      -1.179800      -1.332800    
 C   -4.682600      -1.646600     -0.2524000    
 C   -4.230800      0.5942000      -1.227700    
 C   -1.991800      0.9348000      0.6473000    
 C  -0.5685000      0.4997000      0.5500000    
 C  -0.1776000     -0.6356000       1.223100    
 C   0.3008000       1.250700     -0.2086000    
 C    2.058700     -0.3018000      0.3717000    
 C    1.153800      -1.041700       1.132900    
 C    1.632300      0.8446000     -0.2990000    
 C    4.434900     -9.9500000E-02 -0.4267000    
 C    5.731900     -0.8523000     -0.2673000    
 H   -3.882700      0.3264000       1.412200    
 H   -2.738600      -1.000400       1.399900    
 H   -1.978400      -1.945300     -0.7461000    
 H   -2.945700      -1.639900      -2.217800    
 H   -1.816200     -0.3894000      -1.662100    
 H   -5.474700      -1.206100      0.3602000    
 H   -5.081600      -1.966000      -1.219700    
 H   -4.221000      -2.491900      0.2666000    
 H   -4.958100       1.077500     -0.5686000    
 H   -3.446000       1.292700      -1.528400    
 H   -4.732200      0.2126000      -2.122900    
 H  -0.8299000      -1.220000       1.859200    
 H  -2.0700000E-02   2.141400     -0.7399000    
 H    1.475100      -1.931900       1.668000    
 H    2.273000       1.467200     -0.9078000    
 H    3.622300      -1.553000      0.8002000    
 H    6.028100     -0.8586000      0.7854000    
 H    6.516600     -0.3675000     -0.8547000    
 H    5.610100      -1.880600     -0.6192000    


%chk=000104056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104056

1 1
O -2.003616 0.980830 -1.628990
O 4.959790 1.120303 -0.630869
N -4.140526 -0.538927 -0.505396
N 3.872869 -0.488718 0.692730
C -2.684040 -0.791640 -0.080471
C -4.330535 -0.803956 -2.005173
C -5.027003 -1.507133 0.279851
C -4.569877 0.896999 -0.175278
C -1.627997 0.122266 -0.766864
C -0.227776 -0.064470 -0.369670
C 0.198792 -1.026804 0.597026
C 0.762500 0.762504 -0.983135
C 2.533723 -0.313911 0.310021
C 1.551359 -1.148972 0.929672
C 2.118422 0.651462 -0.659902
C 5.023666 0.209231 0.232988
C 6.316739 -0.252198 0.888169
H -2.645271 -0.657555 1.015357
H -2.466949 -1.851505 -0.305297
H -4.019905 -1.837523 -2.224139
H -5.396646 -0.672729 -2.246581
H -3.714378 -0.087158 -2.563262
H -4.909616 -1.315566 1.357626
H -6.075242 -1.344620 -0.013347
H -4.732665 -2.541919 0.046489
H -4.406144 1.077167 0.898723
H -3.965763 1.586021 -0.779358
H -5.639300 1.000846 -0.414726
H -0.515461 -1.689192 1.099406
H 0.435733 1.499241 -1.723936
H 1.862580 -1.892112 1.673618
H 2.867263 1.287719 -1.133264
H 4.049178 -1.211028 1.397226
H 6.303692 -0.059491 1.977086
H 7.154752 0.303460 0.445145
H 6.486955 -1.333622 0.733127


