%chk=000051597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051597

0 1
 O    1.548700       2.014300       1.630400    
 N   -3.795100      -1.911000      1.4900000E-02
 N   0.1299000      0.7576000      0.2943000    
 C   -2.341500      0.5695000      0.5791000    
 C   -2.676900      0.1273000     -0.8591000    
 C   -1.086800       1.466700      0.6272000    
 C   -2.847900       1.349300      -1.772500    
 C   -2.261500     -0.6576000       1.496800    
 C   -3.942400     -0.7480000     -0.8729000    
 C   -1.268700       2.676000     -0.3015000    
 C   -1.626500       2.264900      -1.730500    
 C   -3.539200      -1.495500       1.400700    
 C   -4.984600      -2.759800     -5.2800000E-02
 C    1.360600       1.098800      0.8335000    
 C    2.517900      0.2903000      0.3706000    
 C    3.774300      0.8593000      0.3799000    
 C    2.298900      -1.004100     -5.3599998E-02
 C    4.860800      0.1000000     -5.4600000E-02
 C    3.385300      -1.763500     -0.4879000    
 C    4.666400      -1.211400     -0.4884000    
 C    5.828200      -2.023000     -0.9536000    
 H   -3.181100       1.182700      0.9415000    
 H   -1.850900     -0.4795000      -1.255100    
 H  -0.9752000       1.844900       1.651500    
 H   -3.734700       1.920300      -1.469000    
 H   -3.020300       1.023100      -2.805000    
 H   -2.113600     -0.3374000       2.535000    
 H   -1.399700      -1.281800       1.228900    
 H   -4.817300     -0.1498000     -0.5838000    
 H   -4.112900      -1.093700      -1.900500    
 H  -0.3594000       3.288700     -0.3190000    
 H   -2.070300       3.313100      9.3699999E-02
 H  -0.7727000       1.755800      -2.193800    
 H   -1.821400       3.161400      -2.330100    
 H   -3.413300      -2.380800       2.036000    
 H   -4.386900     -0.9246000       1.802000    
 H   7.4800000E-02  6.8300001E-02 -0.4469000    
 H   -5.887500      -2.235100      0.2799000    
 H   -4.855800      -3.653000      0.5686000    
 H   -5.148100      -3.112400      -1.077300    
 H    3.941900       1.880100      0.7100000    
 H    1.324600      -1.481400     -3.5599999E-02
 H    5.854200      0.5409000     -4.9800001E-02
 H    3.222900      -2.787100     -0.8150000    
 H    6.269100      -2.564900     -0.1111000    
 H    5.523900      -2.747700      -1.716400    
 H    6.598400      -1.388000      -1.404500    


%chk=000051597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051597

0 1
O 1.516806 2.182172 1.399180
N -3.886761 -1.883761 0.026093
N 0.089039 0.714356 0.304519
C -2.389905 0.580032 0.598534
C -2.747093 0.162410 -0.856099
C -1.127832 1.479927 0.658788
C -2.892486 1.404964 -1.768845
C -2.314506 -0.658989 1.519267
C -4.028547 -0.697982 -0.851031
C -1.296739 2.717782 -0.266504
C -1.636381 2.306638 -1.717260
C -3.609043 -1.490085 1.428570
C -5.040880 -2.796576 -0.078241
C 1.347785 1.123436 0.708239
C 2.509881 0.263331 0.279512
C 3.801197 0.847842 0.301596
C 2.384269 -1.090916 -0.125676
C 4.932059 0.107203 -0.093350
C 3.521550 -1.830640 -0.514611
C 4.814233 -1.245500 -0.509731
C 6.038536 -2.051661 -0.904964
H -3.228481 1.217312 0.958790
H -1.936104 -0.484769 -1.258440
H -0.973600 1.837353 1.694775
H -3.775436 1.993172 -1.439236
H -3.093447 1.085072 -2.810899
H -2.146847 -0.343044 2.567670
H -1.459681 -1.299490 1.230135
H -4.892313 -0.052096 -0.530294
H -4.247225 -1.047501 -1.878595
H -0.372176 3.320573 -0.227106
H -2.114159 3.346717 0.142135
H -0.773584 1.767435 -2.159036
H -1.792808 3.209660 -2.337684
H -3.513897 -2.409498 2.036451
H -4.460677 -0.895042 1.857648
H -0.001728 -0.071145 -0.340328
H -6.004319 -2.333974 0.257589
H -4.862269 -3.695465 0.539072
H -5.166904 -3.121401 -1.126747
H 3.887478 1.886823 0.636266
H 1.409938 -1.595312 -0.111001
H 5.921242 0.580819 -0.079274
H 3.406672 -2.878065 -0.818951
H 6.499064 -2.531674 -0.019457
H 5.783596 -2.854779 -1.618382
H 6.811085 -1.413462 -1.368889


