%chk=000058392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058392

0 1
 O    3.392600      0.6710000      0.8721000    
 N    1.507700     -0.6133000      0.9765000    
 N    2.324600      0.2472000      -1.100300    
 C   0.3988000      -1.366900      0.3648000    
 C  -0.8464000     -0.5509000      0.2449000    
 C   -1.743900     -0.7611000     -0.8021000    
 C   0.1866000      -2.656800       1.176500    
 C   -1.106200      0.4324000       1.199400    
 C   -2.901200      1.2200000E-02 -0.8945000    
 C    2.368200      8.6800002E-02  0.1860000    
 C   -3.160800      0.9956000      6.0100000E-02
 C   -2.263300       1.205700       1.107100    
 C   -1.487600      -1.809500      -1.834500    
 C    4.279800       1.142400     -0.1293000    
 C    3.448900       1.142500      -1.388100    
 C   -4.397800       1.822900     -3.8400002E-02
 H   0.7383000      -1.689600     -0.6257000    
 H    1.627900     -0.6422000       1.984300    
 H  -0.1029000      -2.430200       2.209500    
 H    1.110100      -3.245200       1.215000    
 H  -0.5986000      -3.284400      0.7443000    
 H  -0.4389000      0.6110000       2.037800    
 H   -3.604900     -0.1485000      -1.707900    
 H   -2.457400       1.964900       1.860100    
 H  -0.6090000      -1.553200      -2.435500    
 H   -1.351400      -2.794900      -1.380500    
 H   -2.331100      -1.901700      -2.528300    
 H    5.131400      0.4574000     -0.1970000    
 H    4.646500       2.141000      0.1251000    
 H    3.065800       2.144600      -1.610300    
 H    4.026200      0.7990000      -2.251700    
 H   -4.673700       1.995100      -1.084300    
 H   -5.227900       1.318800      0.4663000    
 H   -4.255000       2.807000      0.4209000    


%chk=000058392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058392

0 1
O 3.385442 0.684738 0.653481
N 1.558141 -0.732968 1.004870
N 2.256422 -0.154169 -1.230070
C 0.368928 -1.524585 0.612073
C -0.882968 -0.649951 0.417600
C -1.514528 -0.516695 -0.854932
C 0.144043 -2.643430 1.653840
C -1.422533 0.047081 1.526646
C -2.665154 0.306722 -0.957839
C 2.341793 -0.100530 0.078115
C -3.212555 0.999762 0.149592
C -2.565556 0.862661 1.402981
C -0.975482 -1.209672 -2.097354
C 4.101933 1.284681 -0.516107
C 3.385281 0.664644 -1.769221
C -4.465034 1.847273 0.000595
H 0.629368 -1.989916 -0.352674
H 1.710166 -0.500937 1.985962
H -0.073937 -2.228456 2.656252
H 1.038066 -3.287379 1.729372
H -0.719090 -3.265855 1.361864
H -0.936550 -0.038795 2.507462
H -3.146196 0.413959 -1.939141
H -2.957227 1.395850 2.277956
H 0.086154 -0.943926 -2.262969
H -1.035765 -2.312685 -2.015658
H -1.554731 -0.914950 -2.989384
H 5.165041 1.006374 -0.430977
H 3.990062 2.379964 -0.446660
H 2.994754 1.447599 -2.444068
H 4.069542 0.022324 -2.354706
H -4.519763 2.317426 -0.997484
H -5.379024 1.233694 0.123993
H -4.503642 2.649248 0.758889


