%chk=000089011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089011

0 1
 O   -5.004500       1.259800      8.8100001E-02
 N    1.539000     -0.1683000      4.2100001E-02
 N   -3.290000     -0.2997000     -0.3441000    
 N    5.520600       2.589500     -0.2658000    
 N    1.733100      -5.016800     -5.5100001E-02
 C    2.756200      0.5420000      0.3806000    
 C    1.627100      -1.537500     -0.4250000    
 C   0.2838000      0.4605000      0.1784000    
 C  -0.8822000     -0.2308000     -0.1501000    
 C    3.302000       1.293000     -0.8293000    
 C    1.564700      -2.515700      0.7434000    
 C   0.2088000       1.774100      0.6415000    
 C   -2.123300      0.3914000     -1.5500000E-02
 C   -1.032300       2.396400      0.7763000    
 C   -2.198300       1.705000      0.4477000    
 C    4.542000       2.017200     -0.5132000    
 C    1.658900      -3.913200      0.2958000    
 C   -4.613600      0.1552000     -0.2750000    
 C   -5.592100     -0.9021000     -0.7209000    
 H    3.516200     -0.1908000      0.6895000    
 H    2.660300       1.180600       1.266200    
 H    2.598100      -1.674800     -0.9232000    
 H   0.9119000      -1.780000      -1.219300    
 H  -0.8808000      -1.258900     -0.4956000    
 H    3.493200      0.5915000      -1.650400    
 H    2.558100       2.006400      -1.202600    
 H    2.376800      -2.307900       1.450500    
 H   0.6306000      -2.382800       1.301500    
 H    1.075000       2.374200      0.8955000    
 H   -1.090100       3.420900       1.132800    
 H   -3.120900       2.253200      0.5773000    
 H   -3.152800      -1.252800     -0.6742000    
 H   -5.403000      -1.163000      -1.765900    
 H   -6.614000     -0.5243000     -0.6280000    
 H   -5.485900      -1.793500     -9.6299998E-02


%chk=000089011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089011

0 1
O -5.020572 1.215344 0.097907
N 1.600368 -0.172060 0.032285
N -3.278777 -0.316296 -0.289072
N 5.632005 2.642682 -0.264422
N 1.396163 -5.087039 -0.159063
C 2.855803 0.520209 0.338073
C 1.682690 -1.560926 -0.423501
C 0.351764 0.482328 0.172114
C -0.868090 -0.196398 -0.107965
C 3.340665 1.418059 -0.852418
C 1.433256 -2.580638 0.742361
C 0.273424 1.843853 0.598680
C -2.121872 0.456599 0.023084
C -0.980086 2.471245 0.731189
C -2.191544 1.807264 0.449946
C 4.604526 2.104440 -0.546180
C 1.412023 -3.971662 0.266077
C -4.624526 0.064386 -0.247099
C -5.604987 -1.032980 -0.658974
H 3.636552 -0.229537 0.556109
H 2.752685 1.139749 1.246783
H 2.686392 -1.745498 -0.845237
H 0.962071 -1.751649 -1.239558
H -0.861803 -1.241649 -0.437476
H 3.476063 0.791977 -1.754189
H 2.563650 2.166907 -1.091873
H 2.223417 -2.467798 1.507862
H 0.471448 -2.348695 1.235837
H 1.174612 2.417779 0.830529
H -1.013494 3.515501 1.061445
H -3.159210 2.298376 0.550703
H -3.097669 -1.277227 -0.587175
H -6.187797 -0.683570 -1.528713
H -6.319537 -1.200407 0.165079
H -5.127016 -1.994669 -0.915449


