%chk=000064106.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064106

0 1
 O   -2.898100      -1.191200       1.920400    
 N   0.1615000      -1.120800      0.3467000    
 N    2.839600     -0.1514000      0.1294000    
 N   -2.178000      -1.070400     -0.2935000    
 N   -3.409300      0.1683000      -1.906900    
 C   0.5249000     -0.1724000     -0.7130000    
 C    1.296900      -2.005600      0.6359000    
 C    1.717000      0.6913000     -0.2935000    
 C    2.513900      -1.202700       1.101400    
 C   -1.011000      -1.902500     -4.4199999E-02
 C    4.136700      0.3737000      0.1388000    
 C    5.171600     -0.1872000     -0.6383000    
 C    4.445500       1.492400      0.9392000    
 C   -3.040300     -0.7894000      0.7695000    
 C   -2.411100     -0.5775000      -1.564500    
 C    6.459500      0.3479000     -0.6151000    
 C   -4.199000      6.3500002E-02  0.4181000    
 C    4.898800      -1.373300      -1.504800    
 C    5.733500       2.027400      0.9625000    
 C    6.740500       1.455100      0.1852000    
 C   -4.334400      0.5060000     -0.9047000    
 C   -5.138200      0.4179000       1.392200    
 C   -5.429100       1.311700      -1.237200    
 C   -6.222900       1.221500       1.044100    
 C   -6.368600       1.667800     -0.2681000    
 H  -0.2821000      0.5375000     -0.9144000    
 H   0.7623000     -0.6970000      -1.648100    
 H    1.564900      -2.595600     -0.2510000    
 H    1.029900      -2.712900       1.430400    
 H    2.013300       1.318800      -1.143300    
 H    1.426600       1.359600      0.5272000    
 H    2.314100     -0.7451000       2.078900    
 H    3.359600      -1.889200       1.228800    
 H  -0.8033000      -2.489700     -0.9488000    
 H   -1.260300      -2.612800      0.7533000    
 H    3.677100       1.951200       1.557800    
 H   -1.670400     -0.8822000      -2.319700    
 H    7.256000     -8.6499996E-02  -1.213300    
 H    4.716200      -2.261000     -0.8910000    
 H    4.030500      -1.193500      -2.147800    
 H    5.743500      -1.595500      -2.166000    
 H    5.952900       2.888700       1.586700    
 H    7.743500       1.871400      0.2040000    
 H   -5.042100      7.9899997E-02   2.420200    
 H   -5.557000       1.668100      -2.256600    
 H   -6.955300       1.500000       1.796300    
 H   -7.214400       2.293800     -0.5375000    


%chk=000064106-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064106

0 1
O -2.130709 -1.720348 1.164993
N 0.163700 -1.164348 -1.018332
N 2.784230 -0.187604 -0.415934
N -2.294171 -0.939544 -1.041342
N -3.940904 0.679044 -1.753425
C 0.942656 -0.443603 -2.039970
C 0.983024 -1.848972 0.001621
C 1.927022 0.540221 -1.374848
C 1.961944 -0.846785 0.635553
C -1.085542 -1.769139 -1.411706
C 4.014277 0.427889 -0.008299
C 5.094215 -0.384263 0.475681
C 4.203855 1.834358 -0.125803
C -2.718394 -0.973389 0.323331
C -2.921783 -0.129121 -1.984649
C 6.299153 0.253351 0.858330
C -3.862676 -0.089348 0.615235
C 4.998578 -1.899242 0.519030
C 5.420962 2.441854 0.247754
C 6.474821 1.652091 0.756625
C -4.432184 0.712664 -0.430376
C -4.396899 -0.029191 1.929195
C -5.529482 1.566958 -0.131356
C -5.481824 0.817592 2.208066
C -6.046746 1.617167 1.173269
H 0.253165 0.128951 -2.688941
H 1.525357 -1.145961 -2.684760
H 1.570514 -2.690621 -0.438924
H 0.305026 -2.245254 0.777050
H 2.563801 1.000433 -2.150823
H 1.335693 1.346207 -0.876974
H 1.377751 -0.083288 1.199818
H 2.618495 -1.366059 1.349906
H -1.156980 -1.921948 -2.507839
H -1.221682 -2.738303 -0.902851
H 3.385649 2.462235 -0.493644
H -2.517794 -0.189582 -3.002094
H 7.127589 -0.369701 1.218823
H 4.587308 -2.272942 1.477946
H 4.340221 -2.267968 -0.288300
H 5.997536 -2.353800 0.399150
H 5.538520 3.527439 0.152137
H 7.423112 2.112507 1.054403
H -3.940061 -0.654625 2.703208
H -5.947364 2.170068 -0.942908
H -5.895035 0.865587 3.221053
H -6.892539 2.276433 1.397618


