%chk=000102337.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102337

0 1
 O    3.158300       1.615900     -0.3499000    
 O    2.452600      0.7173000       1.645800    
 O    1.728300      -3.241800      -1.004000    
 N   -1.615800       2.451600      8.0899999E-02
 N    1.282200      -1.438100      0.3992000    
 C   0.8282000      0.1800000      -1.402200    
 C  -0.3243000      0.8675000     -0.7851000    
 C    1.868500     -0.4027000     -0.4146000    
 C   -1.561300      0.2751000     -0.4062000    
 C   -2.353500       1.290400      0.1343000    
 C  -0.3881000       2.206100     -0.4732000    
 C   -2.084900      -1.031400     -0.4714000    
 C    2.521700      0.6904000      0.4213000    
 C   -3.648000       1.063500      0.6147000    
 C   -3.378400      -1.273300      5.5000000E-03
 C   -4.146200     -0.2404000      0.5399000    
 C    1.262800      -2.774800      3.2200001E-02
 C   0.6131000      -3.645500       1.074000    
 C    3.784700       2.690200      0.3587000    
 H    1.334200      0.8801000      -2.080700    
 H   0.4613000     -0.6300000      -2.046900    
 H    2.675800     -0.8658000     -0.9967000    
 H   0.3277000       3.007200     -0.5949000    
 H   -1.935100       3.354300      0.4042000    
 H   0.8596000      -1.164600       1.281900    
 H   -1.505300      -1.848300     -0.8907000    
 H   -4.246600       1.866900       1.030900    
 H   -3.787800      -2.278900     -4.3600000E-02
 H   -5.148500     -0.4506000      0.9042000    
 H   0.3233000      -4.599600      0.6250000    
 H    1.321900      -3.827700       1.886200    
 H  -0.2837000      -3.164700       1.475200    
 H    4.253800       3.352300     -0.3737000    
 H    4.558400       2.302300       1.028100    
 H    3.037400       3.260000      0.9191000    


%chk=000102337-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102337

0 1
O 3.266258 1.639799 -0.394450
O 2.523102 0.851849 1.665695
O 1.185412 -3.012627 -1.066215
N -1.686399 2.391405 0.179194
N 1.398653 -1.351120 0.535741
C 0.896713 0.193046 -1.425799
C -0.302359 0.843933 -0.786935
C 1.952664 -0.375562 -0.405692
C -1.563329 0.199742 -0.451126
C -2.411172 1.193781 0.155090
C -0.422317 2.177767 -0.391063
C -2.065779 -1.118447 -0.626744
C 2.593085 0.738119 0.418700
C -3.722267 0.905283 0.596002
C -3.373030 -1.410758 -0.193251
C -4.191224 -0.411628 0.415596
C 1.048054 -2.625523 0.139195
C 0.461907 -3.516698 1.228255
C 3.936645 2.764088 0.306405
H 1.434850 0.900618 -2.081372
H 0.586648 -0.666471 -2.045746
H 2.737574 -0.867151 -1.013811
H 0.294393 2.992364 -0.485487
H -2.026806 3.279458 0.540145
H 1.286689 -1.040368 1.505025
H -1.449546 -1.890317 -1.102187
H -4.357241 1.670277 1.057244
H -3.776803 -2.420329 -0.329301
H -5.203953 -0.672146 0.743232
H -0.637305 -3.550117 1.115552
H 0.844278 -4.541775 1.097783
H 0.694991 -3.165589 2.248281
H 4.359305 3.381752 -0.497706
H 4.728560 2.376532 0.968664
H 3.206047 3.329711 0.908584


