%chk=000063525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063525

0 1
 O    1.817000      -2.356300      0.7126000    
 N   -1.950100       1.942700     -0.5650000    
 N   0.1040000     -0.9512000     -8.7700002E-02
 N   0.6463000       1.280200     -0.7105000    
 N    6.045100      0.4269000      0.5641000    
 C   -1.899900       1.957900      0.9037000    
 C   -3.269900       2.363600      -1.055800    
 C   -2.199900       3.353900       1.451900    
 C   -3.614900       3.772700     -0.5716000    
 C   -3.542700       3.870400      0.9480000    
 C   -1.614800      0.6134000      -1.074800    
 C  -0.2124000      0.3153000     -0.5852000    
 C  -0.8997000      -1.953000      0.1451000    
 C    1.432700      -1.284200      0.2509000    
 C    2.422500     -0.1995000      8.2599998E-02
 C    1.981500       1.044600     -0.3680000    
 C   -1.219200      -2.876000     -0.8441000    
 C    3.771100     -0.4098000      0.3939000    
 C   -1.544100      -1.982200       1.376800    
 C    2.909600       2.083400     -0.5055000    
 C    4.685300      0.6331000      0.2519000    
 C   -2.196200      -3.840800     -0.5988000    
 C    4.255200       1.879700     -0.1964000    
 C  -0.5384000      -2.861400      -2.174300    
 C   -2.521100      -2.947000       1.622000    
 C   -2.847200      -3.876400      0.6343000    
 H  -0.9189000       1.680100       1.302200    
 H   -2.623600       1.243600       1.319800    
 H   -4.049800       1.662100     -0.7309000    
 H   -3.273100       2.368800      -2.152600    
 H   -1.403900       4.046500       1.149900    
 H   -2.203500       3.328800       2.547600    
 H   -4.620200       4.045400     -0.9121000    
 H   -2.919200       4.494900      -1.017700    
 H   -4.352500       3.278500       1.391800    
 H   -3.690100       4.908300       1.266000    
 H   -2.353000     -0.1302000     -0.7678000    
 H   -1.577400      0.6241000      -2.170800    
 H    4.114600      -1.378700      0.7482000    
 H   -1.297900      -1.262100       2.152600    
 H    2.588400       3.060400     -0.8590000    
 H   -2.462800      -4.572300      -1.356900    
 H    4.957400       2.701400     -0.3116000    
 H  -0.9177000      -3.649800      -2.833500    
 H  -0.7051000      -1.907100      -2.683800    
 H   0.5375000      -3.027000      -2.057900    
 H   -3.028300      -2.974400       2.582000    
 H   -3.608000      -4.627500      0.8255000    
 H    6.358900     -0.4787000      0.8868000    
 H    6.709000       1.182500      0.4583000    


%chk=000063525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063525

0 1
O 1.705640 -2.377140 0.792843
N -2.055154 2.001936 -0.440111
N 0.164839 -0.816157 -0.062775
N 0.850887 1.332385 -0.913020
N 6.220643 0.210672 0.481837
C -2.182754 1.878702 1.031456
C -3.316586 2.453744 -1.077160
C -2.596744 3.225645 1.658921
C -3.763880 3.815107 -0.507806
C -3.910045 3.741994 1.029008
C -1.526521 0.780575 -1.091874
C -0.099290 0.447851 -0.665224
C -0.888315 -1.803035 0.171323
C 1.494446 -1.227389 0.302245
C 2.536189 -0.214723 0.052483
C 2.170676 1.030929 -0.550619
C -1.131940 -2.806242 -0.804787
C 3.877958 -0.494464 0.395941
C -1.607026 -1.764204 1.383846
C 3.197003 1.986948 -0.795862
C 4.890861 0.463754 0.150074
C -2.152851 -3.750532 -0.533347
C 4.525103 1.714156 -0.454401
C -0.309390 -2.881002 -2.075131
C -2.616652 -2.717456 1.636336
C -2.893107 -3.710708 0.669830
H -1.204400 1.561523 1.438943
H -2.937402 1.094445 1.311354
H -4.143436 1.706495 -0.927114
H -3.142973 2.536556 -2.167150
H -1.787415 3.959681 1.482420
H -2.708813 3.101951 2.753564
H -4.719854 4.113860 -0.979795
H -3.004116 4.575867 -0.770765
H -4.739230 3.050288 1.287031
H -4.175540 4.733705 1.441633
H -2.187242 -0.103640 -0.930976
H -1.497991 0.980006 -2.180122
H 4.103654 -1.465270 0.851521
H -1.362693 -0.997002 2.125616
H 2.911754 2.937632 -1.256514
H -2.360466 -4.532264 -1.273557
H 5.303386 2.462637 -0.648689
H -0.702835 -3.652663 -2.757912
H -0.293488 -1.917459 -2.617284
H 0.740350 -3.136607 -1.838117
H -3.174401 -2.688033 2.578331
H -3.674258 -4.456346 0.855208
H 6.489787 -0.669535 0.911428
H 6.944233 0.900424 0.303121


