%chk=000147704.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147704

0 1
 O   -5.432600     -0.2188000      0.9430000    
 N  -0.2900000      0.4018000     -0.1532000    
 N   -1.659900       1.339700      -1.654100    
 N   -1.888200     -0.5447000       1.410300    
 N   -4.095900     -4.5699999E-02  0.6375000    
 N   -4.582500       1.212400      -1.395600    
 C   0.9453000      1.3000000E-03  0.4762000    
 C    2.035400       1.059400      0.3537000    
 C    1.349500      -1.427700      0.1340000    
 C   -1.557100      0.1459000      0.2830000    
 C   -2.381100      0.7374000     -0.6634000    
 C  -0.4042000       1.119900      -1.318100    
 C    2.040400       2.114600       1.241300    
 C    1.921000      -2.210200       1.115200    
 C    2.981600      0.9271000     -0.6407000    
 C    1.130400      -1.892600      -1.145700    
 C   -3.819600      0.6631000     -0.5175000    
 C    3.038200       3.082900       1.129300    
 C    2.291000      -3.518100      0.8021000    
 C    3.979500       1.895400     -0.7524000    
 C    1.500200      -3.200600      -1.458600    
 C   -3.189600     -0.6024000       1.525800    
 C    4.007600       2.973300      0.1326000    
 C    2.080500      -4.013300     -0.4847000    
 H   0.6971000     -2.7100001E-02   1.549700    
 H   0.4474000       1.453500      -1.894900    
 H    1.288600       2.209900       2.018900    
 H    2.091300      -1.832800       2.118900    
 H    2.983300      0.1119000      -1.354600    
 H   0.6988000      -1.285600      -1.933000    
 H    3.059700       3.922800       1.817600    
 H    2.743700      -4.150700       1.560000    
 H    4.732600       1.812400      -1.530600    
 H    1.340400      -3.585400      -2.461600    
 H   -3.656900      -1.122200       2.377900    
 H    4.783900       3.727800      4.4700000E-02
 H    2.369600      -5.031400     -0.7288000    
 H   -5.561000       1.058300      -1.128500    
 H   -5.640600      -1.047300      0.4776000    


%chk=000147704-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147704

0 1
O -5.556839 -0.323965 0.937560
N -0.275875 0.485173 -0.138993
N -1.662489 1.402944 -1.714544
N -1.937341 -0.478330 1.416306
N -4.160620 -0.155270 0.602077
N -4.777488 1.209178 -1.363846
C 0.943910 0.005103 0.565827
C 2.078705 1.031632 0.414384
C 1.323927 -1.419707 0.142898
C -1.580946 0.192856 0.255613
C -2.423837 0.765137 -0.727911
C -0.382048 1.211229 -1.331958
C 2.022815 2.229702 1.171781
C 2.073248 -2.215475 1.044637
C 3.162738 0.826905 -0.472075
C 0.971617 -1.955808 -1.117831
C -3.875702 0.674502 -0.590843
C 3.031852 3.207671 1.044329
C 2.470263 -3.522794 0.691169
C 4.174158 1.806533 -0.601884
C 1.367199 -3.266134 -1.473556
C -3.250224 -0.619271 1.546146
C 4.111764 2.998636 0.153916
C 2.118542 -4.053372 -0.572487
H 0.652003 -0.030880 1.633812
H 0.489133 1.586694 -1.861989
H 1.183502 2.396446 1.858424
H 2.345413 -1.809760 2.026932
H 3.224072 -0.100746 -1.051225
H 0.380807 -1.360586 -1.822795
H 2.978079 4.128434 1.635471
H 3.045889 -4.128108 1.400202
H 5.009529 1.637185 -1.290230
H 1.084958 -3.670801 -2.451906
H -3.681874 -1.118830 2.417024
H 4.896889 3.756281 0.054075
H 2.421901 -5.069541 -0.847667
H -5.751129 1.059364 -1.034262
H -5.868703 -1.098027 0.386716


