%chk=000013292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013292

0 1
 O   0.5913000      0.4717000      0.6020000    
 N   -2.978100      0.5313000      0.1646000    
 N   -1.528300      -1.307100      0.1546000    
 N  -0.6960000      0.9247000      0.3557000    
 C   -3.296400       1.831800     -0.3740000    
 C   -2.714700      -2.142000      2.0000000E-02
 C   -1.704400     -1.6400000E-02  0.2210000    
 C   -3.908500       2.693000      0.7227000    
 C   -4.248200       1.675200      -1.552800    
 C   -2.354300      -3.387200     -0.7766000    
 C   -3.233400      -2.490400       1.407100    
 C    1.393400      0.9322000     -0.4787000    
 C    2.806500      0.4724000     -0.2705000    
 C    3.694700       1.275700      0.4359000    
 C    3.214800     -0.7530000     -0.7854000    
 C    5.008300      0.8482000      0.6298000    
 C    4.528300      -1.180400     -0.5914000    
 C    5.425000     -0.3797000      0.1161000    
 H   -2.407000       2.343500     -0.7579000    
 H   -3.790100     -3.9999999E-02  0.3721000    
 H   -3.511300      -1.672500     -0.5681000    
 H   -4.160500       3.688700      0.3432000    
 H   -4.822900       2.240700       1.123100    
 H   -3.208900       2.816200       1.556800    
 H   -3.795500       1.060200      -2.338600    
 H   -4.497800       2.649200      -1.986600    
 H   -5.182600       1.188400      -1.251200    
 H   -3.223200      -4.042600     -0.8978000    
 H   -1.989400      -3.117200      -1.773700    
 H   -1.562100      -3.959700     -0.2813000    
 H   -4.118200      -3.132300       1.340600    
 H   -3.510100      -1.597400       1.976100    
 H   -2.473500      -3.024200       1.989200    
 H  -0.8729000       1.895600      0.5898000    
 H    1.360300       2.028500     -0.5346000    
 H    1.008200      0.5413000      -1.429900    
 H    3.380200       2.232900      0.8423000    
 H    2.523800      -1.385600      -1.335900    
 H    5.706300       1.471200       1.181300    
 H    4.852800      -2.136900     -0.9907000    
 H    6.447600     -0.7127000      0.2674000    


%chk=000013292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013292

0 1
O 0.491910 1.220269 0.600158
N -3.092156 0.659242 0.018543
N -1.182564 -0.856385 -0.013982
N -0.902287 1.496106 0.258443
C -3.660049 2.001816 -0.254909
C -2.033617 -2.029549 -0.330695
C -1.727506 0.330682 0.104299
C -4.075360 2.736154 1.045775
C -4.860559 1.858846 -1.216277
C -1.176814 -3.053864 -1.102998
C -2.601024 -2.653239 0.972552
C 1.289256 1.075784 -0.659544
C 2.568219 0.370432 -0.273534
C 3.834809 0.952781 -0.517839
C 2.492219 -0.911792 0.331605
C 5.019143 0.258742 -0.175401
C 3.673760 -1.599427 0.680907
C 4.940257 -1.018517 0.424940
H -2.870295 2.589389 -0.761841
H -3.738963 -0.128175 -0.030329
H -2.897574 -1.752831 -0.989336
H -4.440551 3.755537 0.820869
H -4.882714 2.184068 1.561414
H -3.229763 2.824309 1.752728
H -4.551544 1.393958 -2.169008
H -5.301095 2.847018 -1.437474
H -5.655219 1.234152 -0.762643
H -1.766616 -3.953705 -1.359912
H -0.785250 -2.608524 -2.034502
H -0.312848 -3.359018 -0.485220
H -3.208630 -3.550544 0.750735
H -3.229036 -1.934664 1.532466
H -1.766123 -2.949028 1.632850
H -1.234367 2.179629 0.951091
H 1.473106 2.077169 -1.094636
H 0.691505 0.463266 -1.358103
H 3.896988 1.948978 -0.973536
H 1.498770 -1.334372 0.522985
H 5.996760 0.714332 -0.370397
H 3.612080 -2.587924 1.150793
H 5.856943 -1.555802 0.694662


