%chk=000103704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103704

0 1
 O    3.829600      -2.206900     -0.3137000    
 O    5.349200      0.1170000     -0.2563000    
 N  -0.8267000       1.756400      0.4531000    
 N   -5.896600      -1.209800      0.3907000    
 N   -2.307900      -3.862400     -0.1191000    
 C  -0.2991000      0.3675000      0.5448000    
 C   -3.132600      0.9835000     -9.3900003E-02
 C   -2.242800       1.812100      0.8502000    
 C   -1.099900     -0.5252000     -0.4361000    
 C  -2.3700001E-02   2.673700       1.265300    
 C   -2.586400     -0.4222000     -0.1907000    
 C    1.209800      0.2941000      0.3040000    
 C    1.365100       2.799700      0.6440000    
 C    1.998400       1.459500      0.3808000    
 C   -3.247900       1.625400      -1.480800    
 C    1.857000     -0.9349000      9.1899998E-02
 C   -3.362200      -1.504000     -2.4300000E-02
 C    3.384800       1.388600      0.1747000    
 C   -3.764000       3.046100      -1.385300    
 C    3.239000     -0.9977000     -9.9399999E-02
 C    4.001600      0.1642000     -6.6500001E-02
 C   -4.758600      -1.340200      0.2041000    
 C   -2.779600      -2.802900     -7.6899998E-02
 C    4.273200      -2.924000      0.8363000    
 C    5.820200      0.2421000      -1.597000    
 H  -0.4569000     -6.0000001E-03   1.568200    
 H   -4.130500       1.004500      0.3586000    
 H   -2.590200       2.849300      0.8964000    
 H   -2.352700       1.426400       1.874600    
 H  -0.7417000      -1.553500     -0.3668000    
 H  -0.8924000     -0.2156000      -1.469900    
 H   4.3600000E-02   2.325600       2.304800    
 H  -0.4747000       3.673400       1.285300    
 H    1.999600       3.385800       1.319700    
 H    1.299600       3.342700     -0.3076000    
 H   -3.943200       1.037700      -2.093500    
 H   -2.289500       1.629800      -2.012800    
 H    1.295200      -1.864700      8.5299999E-02
 H    3.984700       2.295400      0.2112000    
 H   -4.649900       3.115700     -0.7461000    
 H   -3.002000       3.737900      -1.014700    
 H   -4.048000       3.401100      -2.382100    
 H    5.025300      -2.347300       1.383900    
 H    4.726700      -3.861100      0.5018000    
 H    3.428400      -3.158300       1.491700    
 H    6.911800      0.1808000      -1.583600    
 H    5.528700       1.210100      -2.016800    
 H    5.431500     -0.5702000      -2.219200    


%chk=000103704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103704

0 1
O 3.789206 -2.283946 -0.186254
O 5.396039 0.174072 -0.281918
N -0.863071 1.758867 0.625653
N -5.984801 -1.326884 0.226133
N -2.399893 -3.888081 -0.546790
C -0.325756 0.379273 0.592477
C -3.158591 1.058890 -0.066508
C -2.286797 1.784291 1.005998
C -1.103738 -0.412872 -0.515368
C -0.005142 2.721749 1.351066
C -2.591155 -0.329154 -0.278208
C 1.186513 0.342992 0.354493
C 1.320118 2.883072 0.588486
C 1.970176 1.528862 0.348037
C -3.205792 1.859491 -1.410873
C 1.830365 -0.908627 0.193270
C -3.386639 -1.463396 -0.214878
C 3.364546 1.433552 0.122915
C -4.142872 3.083459 -1.335031
C 3.219505 -1.000714 -0.010499
C 3.996298 0.192492 -0.081794
C -4.806268 -1.387644 0.029178
C -2.848783 -2.789070 -0.398287
C 4.759855 -2.675862 0.863269
C 5.828017 -0.396715 -1.580384
H -0.531531 -0.142833 1.566263
H -4.191902 0.983786 0.323962
H -2.613522 2.836401 1.085071
H -2.467146 1.304358 2.000959
H -0.763309 -1.460282 -0.549572
H -0.848866 0.058924 -1.483620
H 0.197073 2.397208 2.401975
H -0.538428 3.688503 1.399859
H 2.008276 3.539651 1.153719
H 1.109614 3.380868 -0.378283
H -3.553067 1.188814 -2.220399
H -2.176742 2.177769 -1.661275
H 1.271480 -1.849887 0.240510
H 3.987066 2.335019 0.098341
H -5.182564 2.777475 -1.116382
H -3.826618 3.796947 -0.552226
H -4.146721 3.628563 -2.296060
H 5.587113 -1.946353 0.930821
H 5.137848 -3.663126 0.557579
H 4.248586 -2.755240 1.841337
H 6.928058 -0.393728 -1.549059
H 5.472679 0.242910 -2.410386
H 5.444582 -1.424649 -1.709021


