%chk=000026756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026756

0 1
 O   -2.819000      -1.382200      0.3947000    
 N   -5.994500      0.4575000      0.1326000    
 N    3.504300     -0.9494000     -0.6216000    
 C   -7.258200      0.4260000      0.8682000    
 C   -6.361700      0.2205000      -1.263200    
 C   -8.197800       1.210300     -3.5799999E-02
 C   -7.610600       1.072200      -1.437100    
 C   -5.038000     -0.5204000      0.6292000    
 C   -3.726300     -0.4237000     -0.1334000    
 C    2.626700     -0.1506000      6.3100003E-02
 C    3.338800      0.9056000      0.5860000    
 C    4.700100      0.7427000      0.2050000    
 C    4.776600     -0.4283000     -0.5519000    
 C    1.222200     -0.4679000      0.1489000    
 C   -1.484700      -1.080000      0.3139000    
 C   0.3380000      1.5100000E-02 -0.8155000    
 C   0.7484000      -1.258100       1.196300    
 C   -1.020100     -0.2918000     -0.7327000    
 C  -0.6097000      -1.565200       1.279100    
 C    2.791100       2.012600       1.399800    
 C    5.878400       1.481600      0.4322000    
 C    5.977100     -0.8993000      -1.095400    
 C    7.086300       1.022500     -0.1053000    
 C    7.132600     -0.1498000     -0.8570000    
 H   -7.172500      0.8870000       1.857200    
 H   -7.632000     -0.5987000      0.9909000    
 H   -6.603200     -0.8337000      -1.450200    
 H   -5.588000      0.5366000      -1.969500    
 H   -8.223300       2.267700      0.2527000    
 H   -9.220600      0.8234000      1.5400000E-02
 H   -8.319900      0.6074000      -2.129400    
 H   -7.356200       2.063100      -1.831300    
 H   -5.427600      -1.545500      0.5679000    
 H   -4.836600     -0.3389000       1.693000    
 H   -3.343400      0.6000000     -2.2700001E-02
 H   -3.864400     -0.6499000      -1.196000    
 H    3.258200      -1.799900      -1.109700    
 H   0.6929000      0.6274000      -1.641300    
 H    1.424800      -1.642200       1.956300    
 H    2.705400       1.706400       2.447400    
 H    3.430200       2.900000       1.356800    
 H    1.798400       2.312500       1.048300    
 H   -1.669100      8.0399998E-02  -1.519200    
 H  -0.9748000      -2.180600       2.096300    
 H    5.861900       2.396900       1.016600    
 H    6.014200      -1.811900      -1.680700    
 H    7.998300       1.588100      6.6799998E-02
 H    8.081700     -0.4880000      -1.265000    


%chk=000026756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026756

0 1
O -2.843900 -1.078519 0.559904
N -6.293761 0.259129 0.114463
N 3.635246 -1.147696 -0.200995
C -7.618401 -0.077129 0.698722
C -6.529873 0.465915 -1.343850
C -8.558092 0.928093 0.003277
C -7.979214 1.035891 -1.443708
C -5.213878 -0.685194 0.449705
C -3.839632 -0.061132 0.178895
C 2.775989 -0.066841 0.112597
C 3.560738 1.086472 0.300099
C 4.941132 0.698646 0.079275
C 4.958447 -0.705912 -0.240394
C 1.326059 -0.287901 0.224751
C -1.488335 -0.749126 0.425049
C 0.387387 0.713462 -0.142304
C 0.810539 -1.533784 0.696189
C -1.003231 0.498592 -0.041075
C -0.570770 -1.765955 0.792102
C 3.102762 2.459854 0.721502
C 6.172273 1.406114 0.130914
C 6.152875 -1.402841 -0.523992
C 7.368683 0.715725 -0.145589
C 7.359177 -0.673343 -0.472409
H -7.596322 0.033069 1.797590
H -7.929645 -1.127530 0.462352
H -6.454567 -0.501286 -1.902626
H -5.777448 1.154722 -1.768297
H -8.495212 1.904590 0.513695
H -9.611029 0.597330 0.017110
H -8.576356 0.441379 -2.157263
H -7.985551 2.080408 -1.798150
H -5.293657 -1.647102 -0.117308
H -5.275069 -0.931098 1.525520
H -3.712267 0.854608 0.788794
H -3.713879 0.196618 -0.892467
H 3.310061 -2.069746 -0.483537
H 0.747931 1.665570 -0.543752
H 1.502434 -2.316845 1.028909
H 3.850963 2.931647 1.384893
H 2.963627 3.139818 -0.142867
H 2.146480 2.419901 1.271660
H -1.690152 1.296873 -0.336702
H -0.963514 -2.718424 1.161086
H 6.191781 2.474167 0.376235
H 6.151990 -2.470785 -0.770156
H 8.325321 1.249205 -0.112269
H 8.306260 -1.182109 -0.684881


