%chk=000022391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022391

0 1
 O    1.603600      2.3700001E-02   2.553900    
 N   -3.045400      0.1482000     -0.4259000    
 C   0.7913000     -5.6699999E-02  0.2329000    
 C  -0.6330000     -0.3235000     -0.3743000    
 C   -1.790100      0.4738000      0.2506000    
 C   -3.332300      -1.288800     -0.3135000    
 C   -4.147000      0.9541000      0.1191000    
 C   -4.617300      -1.654800      -1.057700    
 C   -5.458700      0.6615000     -0.6113000    
 C   -5.798000     -0.8240000     -0.5678000    
 C    1.090300       1.454200      4.4000000E-03
 C    1.900400     -0.9332000     -0.4250000    
 C   0.8177000     -0.4810000       1.747600    
 C  -8.3200000E-02  -1.637900       2.181400    
 C    1.762500       1.801000      -1.129700    
 C    3.179700     -0.7619000      1.0700000E-02
 C   0.6611000       2.333900      0.9534000    
 C    1.517100      -1.812200      -1.392500    
 C   0.4891000      -2.411700       3.358100    
 C    2.030700       3.154500      -1.334300    
 C    4.172000      -1.545600     -0.5783000    
 C   0.9292000       3.687400      0.7488000    
 C    2.509300      -2.596100      -1.981400    
 C    1.614100       4.097700     -0.3950000    
 C    3.836800      -2.462600      -1.574300    
 H  -0.6205000     -8.7800004E-02  -1.449300    
 H  -0.8314000      -1.389400     -0.2871000    
 H   -1.869900      0.3171000       1.328800    
 H   -1.620300       1.541800      8.9000002E-02
 H   -3.408200      -1.596900      0.7374000    
 H   -2.572100      -1.909300     -0.7921000    
 H   -4.275300      0.7655000       1.193300    
 H   -3.922700       2.021100      3.0000001E-04
 H   -4.479100      -1.492100      -2.134400    
 H   -4.835100      -2.720200     -0.9210000    
 H   -6.271800       1.239600     -0.1581000    
 H   -5.378000      0.9876000      -1.656000    
 H   -6.681800      -1.026700      -1.182500    
 H   -6.046800      -1.112800      0.4608000    
 H   -1.070300      -1.258100       2.448700    
 H  -0.1773000      -2.357700       1.365100    
 H    2.066500       1.106000      -1.903100    
 H    3.463000     -4.8300002E-02  0.7760000    
 H   0.1149000       2.043200       1.843400    
 H   0.5114000      -1.958500      -1.760200    
 H   0.5660000      -1.776200       4.246400    
 H    1.491000      -2.789600       3.128700    
 H  -0.1525000      -3.263500       3.604000    
 H    2.555300       3.475500      -2.229600    
 H    5.206000      -1.440000     -0.2632000    
 H   0.6014000       4.422400       1.478100    
 H    2.249800      -3.309000      -2.758800    
 H    1.820100       5.151900     -0.5557000    
 H    4.609500      -3.072000      -2.033600    


%chk=000022391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022391

0 1
O 1.401846 -0.048657 2.612806
N -3.089655 0.019357 -0.393710
C 0.774175 -0.093357 0.215727
C -0.613853 -0.347772 -0.461128
C -1.783364 0.446156 0.162774
C -3.597267 -1.231697 0.224808
C -4.114810 1.095743 -0.346867
C -4.869127 -1.734923 -0.487955
C -5.400902 0.667925 -1.083698
C -5.962333 -0.642857 -0.488163
C 1.089517 1.420350 0.114958
C 1.905459 -0.924651 -0.461769
C 0.790880 -0.643615 1.686791
C 0.124528 -2.001357 1.941260
C 1.636541 1.923984 -1.094669
C 3.233245 -0.778463 0.024987
C 0.743022 2.349650 1.129768
C 1.674093 -1.827192 -1.529511
C 0.527596 -2.628095 3.287996
C 1.840513 3.307814 -1.285773
C 4.297037 -1.510045 -0.540862
C 0.952420 3.734801 0.943594
C 2.741357 -2.560102 -2.100446
C 1.501486 4.223116 -0.263332
C 4.056201 -2.407375 -1.608704
H -0.545642 -0.065051 -1.527748
H -0.852127 -1.426542 -0.436710
H -1.763079 0.354339 1.281183
H -1.646110 1.519052 -0.059930
H -3.827007 -1.069398 1.313397
H -2.809278 -2.005799 0.170608
H -4.374395 1.362955 0.712696
H -3.687511 1.999589 -0.819336
H -4.610653 -2.000975 -1.531074
H -5.232995 -2.652451 0.013637
H -6.149580 1.480774 -1.017648
H -5.161910 0.516013 -2.154048
H -6.848272 -0.980437 -1.058490
H -6.298569 -0.458977 0.553511
H -0.975424 -1.857446 1.903159
H 0.369502 -2.680222 1.101259
H 1.913116 1.224917 -1.892397
H 3.424559 -0.081953 0.849464
H 0.332322 1.997167 2.078782
H 0.667280 -1.959250 -1.936829
H 0.288656 -1.951901 4.125912
H 1.614471 -2.817878 3.322615
H -0.000449 -3.586139 3.442389
H 2.266465 3.668916 -2.228927
H 5.312611 -1.380936 -0.150120
H 0.687819 4.431968 1.746924
H 2.542517 -3.246823 -2.931251
H 1.665027 5.297619 -0.403877
H 4.881752 -2.976268 -2.050835


