%chk=000178665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178665

0 1
 O    1.485400      0.2252000     -4.9600001E-02
 N   -4.058400     -0.8094000      0.2262000    
 N   -5.103900     -0.6982000      -1.730000    
 C   -3.331700      5.8800001E-02 -0.5382000    
 C   -2.137500      0.7339000     -9.1899998E-02
 C   -3.786900      -1.214800       1.586000    
 C  -0.8882000      0.1451000     -0.2877000    
 C   -3.995700      0.1112000      -1.740700    
 C   0.2661000      0.7991000      0.1426000    
 C   -5.112500      -1.238200     -0.5316000    
 C   -2.232300       1.976700      0.5344000    
 C   -2.901900      -2.447600       1.652500    
 C   0.1714000       2.041800      0.7688000    
 C   -1.077900       2.630600      0.9649000    
 C    2.624100      0.9493000      0.4139000    
 C    3.865300      0.1733000      8.4500000E-02
 C    4.362900     -0.7498000      0.9975000    
 C    4.507200      0.3846000      -1.130600    
 C    5.517100      -1.470900      0.6915000    
 C    5.661300     -0.3365000      -1.436800    
 C    6.166200      -1.264200     -0.5256000    
 H   -3.329600     -0.3775000       2.122100    
 H   -4.749800      -1.417400       2.069000    
 H  -0.8030000     -0.8230000     -0.7767000    
 H   -3.737000      0.6899000      -2.616200    
 H   -5.848700      -1.939500     -0.1624000    
 H   -3.198500       2.449000      0.6952000    
 H   -3.365100      -3.294400       1.134700    
 H   -2.734700      -2.737000       2.694700    
 H   -1.926600      -2.268600       1.190200    
 H    1.023300       2.606500       1.131100    
 H   -1.152900       3.598000       1.453200    
 H    2.577600       1.092800       1.501700    
 H    2.691000       1.929800     -7.6200001E-02
 H    3.864200     -0.9208000       1.947600    
 H    4.121800       1.102800      -1.849000    
 H    5.909900      -2.193700       1.400600    
 H    6.166500     -0.1762000      -2.384800    
 H    7.064700      -1.825900     -0.7642000    


%chk=000178665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178665

0 1
O 1.683230 0.150168 0.062617
N -4.339610 -0.561578 -0.089947
N -4.494591 -0.902004 -2.335787
C -3.120817 -0.110530 -0.648273
C -1.997031 0.480825 0.102411
C -4.668006 -0.753365 1.339152
C -0.677071 0.069663 -0.203256
C -3.252315 -0.335005 -2.029054
C 0.431963 0.647892 0.458764
C -5.116396 -1.034292 -1.147134
C -2.189761 1.491078 1.091390
C -3.896425 -1.930543 1.970284
C 0.238757 1.638364 1.453995
C -1.080855 2.049586 1.755141
C 2.880445 0.730926 0.694374
C 4.110242 0.109639 0.061699
C 5.290131 -0.042700 0.830905
C 4.115600 -0.279100 -1.300145
C 6.466092 -0.562599 0.244655
C 5.288544 -0.807568 -1.883738
C 6.468376 -0.946638 -1.116056
H -4.458736 0.176216 1.894002
H -5.756872 -0.931729 1.397597
H -0.496350 -0.713701 -0.945549
H -2.539452 -0.078980 -2.810203
H -6.106870 -1.459595 -0.997586
H -3.195131 1.872111 1.298262
H -4.102044 -2.870608 1.429062
H -4.201211 -2.060198 3.024557
H -2.808873 -1.746163 1.946236
H 1.081309 2.088695 1.985843
H -1.237234 2.829862 2.508322
H 2.864014 0.539922 1.786952
H 2.870075 1.831024 0.533680
H 5.291813 0.241319 1.891066
H 3.196019 -0.182276 -1.885191
H 7.372890 -0.676030 0.849191
H 5.281942 -1.111614 -2.936531
H 7.377410 -1.355675 -1.571011


