%chk=000139084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139084

0 1
 O   0.5616000      -1.932500      -1.118300    
 N    1.240300      8.5199997E-02 -0.1489000    
 N   -2.936600     -0.9497000       1.342400    
 C    2.633200     -0.1155000     -0.4383000    
 C   0.8921000       1.330700      0.5495000    
 C    3.359600     -0.8471000      0.6840000    
 C   0.5920000       2.472300     -0.4145000    
 C   0.2935000     -0.8841000     -0.5326000    
 C    4.841000      -1.044700      0.3951000    
 C   0.2516000       3.772000      0.3008000    
 C   -1.124800     -0.6643000     -0.2077000    
 C   -1.949100       0.000000      -1.094200    
 C   -1.644300      -1.118400      0.9827000    
 C   -3.284800      0.1929000     -0.7595000    
 C   -3.725200     -0.2968000      0.4595000    
 H    3.105000      0.8536000     -0.6380000    
 H    2.722500     -0.7033000      -1.360000    
 H    1.721600       1.599800       1.214300    
 H   2.5200000E-02   1.160600       1.194900    
 H    3.253500     -0.2905000       1.622800    
 H    2.894200      -1.826100      0.8508000    
 H    1.460400       2.645200      -1.061500    
 H  -0.2344000       2.209300      -1.080900    
 H    5.345300     -8.1900001E-02  0.2656000    
 H    5.322300      -1.573100       1.223900    
 H    4.985900      -1.634700     -0.5154000    
 H    1.079600       4.095000      0.9396000    
 H   5.2700002E-02   4.565200     -0.4266000    
 H  -0.6390000       3.651200      0.9256000    
 H   -1.574900      0.3654000      -2.045900    
 H   -1.033700      -1.644600       1.709400    
 H   -3.960200      0.7087000      -1.432400    
 H   -4.758200     -0.1727000      0.7673000    


%chk=000139084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139084

0 1
O 0.629527 -1.561852 -1.459478
N 1.195960 0.221870 -0.070124
N -2.934841 -0.587773 1.466993
C 2.631081 -0.013097 -0.375800
C 0.855049 1.485411 0.627149
C 3.284674 -1.006005 0.613124
C 0.828253 2.710536 -0.320407
C 0.274932 -0.649340 -0.639379
C 4.784134 -1.210308 0.310455
C 0.550057 4.019710 0.448415
C -1.180859 -0.534023 -0.253256
C -2.168900 -0.549100 -1.269061
C -1.620968 -0.576395 1.096695
C -3.531531 -0.547558 -0.904668
C -3.868261 -0.556616 0.469510
H 3.156009 0.960013 -0.342813
H 2.707645 -0.415237 -1.401880
H 1.601428 1.649376 1.429033
H -0.127444 1.391338 1.115900
H 3.153791 -0.634576 1.649079
H 2.749518 -1.971033 0.543520
H 1.793684 2.787442 -0.857670
H 0.048819 2.547291 -1.089874
H 5.346053 -0.260439 0.393954
H 5.236047 -1.931487 1.014773
H 4.931981 -1.602232 -0.713092
H 1.336598 4.218081 1.200872
H 0.516953 4.883655 -0.238946
H -0.419668 3.974211 0.978616
H -1.859431 -0.579646 -2.318626
H -0.897985 -0.633951 1.919531
H -4.319642 -0.549169 -1.663973
H -4.914764 -0.552000 0.794930


