%chk=000145060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145060

0 1
 O  -0.4293000       2.220700       1.357800    
 N  -0.2023000      6.2100001E-02  0.5336000    
 N    5.773900      0.3514000       1.849400    
 C    1.617100      -1.530700      2.1199999E-02
 C    2.213400      -2.338000      -1.152600    
 C   0.3186000     -0.8386000     -0.3560000    
 C    1.138400      -3.096700      -1.921400    
 C    2.692000     -0.5648000      0.5384000    
 C   0.1007000      -2.133200      -2.492200    
 C  -0.3387000      -1.100300      -1.498800    
 C    3.953500      -1.315100      0.9430000    
 C   -1.112000     -0.4908000       1.538000    
 C   6.0699999E-02   1.437000      0.5367000    
 C    1.007300       1.996900     -0.5186000    
 C   0.6062000       3.404100     -0.9882000    
 C   -2.536600     -0.4955000       1.063800    
 C  -0.8278000       3.427600      -1.523200    
 C    1.572000       3.889000      -2.070300    
 C    4.969700     -0.3833000       1.449300    
 C   -3.347000      0.6065000       1.310800    
 C   -3.030900      -1.601500      0.3822000    
 C   -4.670400      0.6024000      0.8702000    
 C   -4.354300      -1.605400     -5.8499999E-02
 C   -5.174000     -0.5035000      0.1855000    
 H    1.376700      -2.241600      0.8247000    
 H    2.749600      -1.677200      -1.846500    
 H    2.931100      -3.079100     -0.7833000    
 H    1.591700      -3.675100      -2.734400    
 H   0.6484000      -3.815900      -1.252700    
 H    2.960500      0.1518000     -0.2456000    
 H    2.324100      3.1999999E-03   1.401300    
 H   0.5081000      -1.620100      -3.371300    
 H  -0.7705000      -2.706800      -2.828600    
 H   -1.246100     -0.5549000      -1.746900    
 H   -1.033000      9.8200001E-02   2.460900    
 H  -0.7942000      -1.505600       1.812800    
 H    4.402400      -1.843700      9.6900001E-02
 H    3.721700      -2.060500       1.712300    
 H    1.998900       2.063700     -5.9400000E-02
 H    1.077900       1.339200      -1.388300    
 H   0.6647000       4.098800     -0.1407000    
 H   -1.077100       4.420900      -1.912400    
 H  -0.9571000       2.706500      -2.337900    
 H   -1.561600       3.194100     -0.7464000    
 H    1.539000       3.242600      -2.954100    
 H    1.322100       4.907300      -2.386600    
 H    2.601000       3.899100      -1.695700    
 H   -2.972000       1.472400       1.848200    
 H   -2.408200      -2.472000      0.1961000    
 H   -5.309300       1.459600       1.061500    
 H   -4.747300      -2.467600     -0.5892000    
 H   -6.204700     -0.5071000     -0.1568000    


%chk=000145060-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145060

0 1
O -0.409561 2.464030 1.395450
N -0.075218 0.318540 0.562485
N 5.630637 -0.471813 2.557398
C 1.501384 -1.578894 -0.069956
C 2.011377 -2.351849 -1.317343
C 0.357111 -0.626943 -0.451436
C 0.854480 -2.858703 -2.205194
C 2.648663 -0.811084 0.645691
C 0.021684 -1.672827 -2.740400
C -0.294442 -0.676882 -1.644870
C 3.763384 -1.764164 1.160216
C -0.911068 -0.232695 1.675293
C 0.133027 1.704318 0.528412
C 1.074219 2.283640 -0.530384
C 0.493178 3.558459 -1.202671
C -2.347895 -0.515463 1.254536
C -0.743545 3.225623 -2.069932
C 1.583832 4.266569 -2.037117
C 4.797561 -1.057259 1.934919
C -3.235965 0.563028 0.999204
C -2.820024 -1.842645 1.108794
C -4.568199 0.313460 0.604759
C -4.155312 -2.095018 0.716224
C -5.032660 -1.016574 0.461860
H 1.103739 -2.325837 0.656429
H 2.659477 -1.676983 -1.914775
H 2.640068 -3.205099 -0.999460
H 1.251596 -3.458987 -3.045097
H 0.199507 -3.526363 -1.610874
H 3.091400 -0.071054 -0.048032
H 2.239331 -0.244594 1.501269
H 0.566030 -1.163737 -3.564639
H -0.925399 -2.035069 -3.185565
H -1.110544 0.036224 -1.820086
H -0.887860 0.528508 2.474805
H -0.429788 -1.157086 2.044846
H 4.257342 -2.279977 0.315723
H 3.318593 -2.550667 1.802054
H 2.005840 2.563217 0.003171
H 1.340822 1.535978 -1.296910
H 0.171524 4.232129 -0.384710
H -1.162938 4.143461 -2.521549
H -0.474712 2.536229 -2.894593
H -1.541817 2.753230 -1.467696
H 1.946633 3.614051 -2.855566
H 1.189502 5.191637 -2.496939
H 2.453730 4.543318 -1.412231
H -2.872267 1.589737 1.123909
H -2.143369 -2.683400 1.309366
H -5.247436 1.152807 0.416951
H -4.510123 -3.126804 0.611996
H -6.068529 -1.209220 0.160266


