%chk=000056240.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056240

0 1
 O   -5.594200     -0.1814000     -1.1800000E-02
 N   0.3796000      0.8321000      0.1092000    
 N   0.6727000      -1.351400     -0.1848000    
 C  -0.8821000      0.2994000      4.0600002E-02
 C  -0.6725000      -1.064500     -0.1431000    
 C    1.273500     -0.1929000     -3.0500000E-02
 C   -2.150200      0.8760000      0.1212000    
 C   -3.243400      1.0800000E-02  7.4999998E-03
 C    2.699300      2.7600000E-02 -2.3000001E-03
 C   -1.782200      -1.919000     -0.2552000    
 C   -3.064900      -1.362200     -0.1773000    
 C    3.550400     -0.9699000      0.4729000    
 C    3.225500       1.239300     -0.4495000    
 C   -4.591500      0.5532000      8.4399998E-02
 C    4.928500     -0.7555000      0.5009000    
 C    4.603500       1.453600     -0.4217000    
 C    5.455000      0.4562000      5.3599998E-02
 C   -4.807000       2.048900      0.2857000    
 H   0.5953000       1.809900      0.2530000    
 H   -2.245000       1.945400      0.2652000    
 H   -1.653600      -2.987000     -0.3989000    
 H   -3.917600      -2.031900     -0.2651000    
 H    3.160700      -1.920500      0.8291000    
 H    2.591700       2.032300     -0.8382000    
 H    5.591600      -1.531700      0.8716000    
 H    5.014200       2.395800     -0.7727000    
 H    6.528000      0.6229000      7.4900001E-02
 H   -4.381100       2.608900     -0.5507000    
 H   -4.376000       2.368800       1.237900    
 H   -5.882000       2.254100      0.3163000    


%chk=000056240-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056240

0 1
O -5.682864 -0.301772 0.092676
N 0.373051 0.933334 0.010736
N 0.696883 -1.325204 0.081276
C -0.909948 0.368877 0.037962
C -0.679191 -1.052606 0.082668
C 1.308090 -0.116394 0.037553
C -2.197935 0.928350 0.028716
C -3.295393 0.027823 0.065596
C 2.762584 0.084320 0.019830
C -1.783286 -1.939985 0.118997
C -3.072857 -1.389382 0.109960
C 3.606109 -1.060413 0.057091
C 3.354612 1.376421 -0.033830
C -4.714227 0.515626 0.060139
C 5.006354 -0.913509 0.041011
C 4.757781 1.519018 -0.049795
C 5.589507 0.375750 -0.012476
C -4.983312 2.019336 0.014723
H 0.590263 1.926804 -0.022123
H -2.355324 2.010857 -0.005109
H -1.619200 -3.020731 0.152678
H -3.960081 -2.029888 0.136685
H 3.135222 -2.047293 0.098051
H 2.734939 2.281518 -0.064364
H 5.645775 -1.802360 0.070160
H 5.202373 2.519257 -0.091572
H 6.679004 0.488534 -0.025069
H -4.551923 2.475231 -0.896030
H -4.539592 2.531243 0.889067
H -6.071213 2.184537 0.016991


