%chk=000044759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044759

0 1
 O   -4.009400       1.389400     -0.1727000    
 N    2.334200      0.2311000      0.1673000    
 N    1.773200     -0.1594000      -2.129800    
 C    3.763200     -1.6300000E-02 -7.4000000E-03
 C    1.913700      0.4967000       1.540400    
 C    1.414800      0.1512000     -0.9039000    
 C  -8.2000000E-03  0.4042000     -0.6969000    
 C    4.331700      0.9981000     -0.9906000    
 C    3.976400      -1.443000     -0.4966000    
 C    2.557200       1.790600       2.021000    
 C    2.301600     -0.6790000       2.427700    
 C  -0.9114000     -0.6140000     -0.3504000    
 C   -2.278000     -0.2945000     -0.1678000    
 C  -0.4461000       1.718700     -0.8609000    
 C   -2.701000       1.034000     -0.3370000    
 C  -0.4881000      -1.942400     -0.1815000    
 C   -1.789900       2.033000     -0.6810000    
 C   -3.181000      -1.312800      0.1784000    
 C   -1.399000      -2.941400      0.1630000    
 C   -2.742900      -2.627200      0.3425000    
 C   -4.411100       1.782900       1.136200    
 H    4.323800      9.9299997E-02  0.9245000    
 H   0.8306000      0.6225000       1.622900    
 H    5.426800      0.9841000     -0.9213000    
 H    4.110900      0.8425000      -2.046400    
 H    4.011800       2.014600     -0.7338000    
 H    3.296700      -2.149700     -8.6000003E-03
 H    4.995800      -1.755000     -0.2360000    
 H    3.907400      -1.593900      -1.575100    
 H    2.162100       2.063300       3.006200    
 H    3.644700       1.728000       2.122100    
 H    2.332700       2.615700       1.335800    
 H    1.913700      -1.621300       2.025900    
 H    1.868700     -0.5485000       3.426400    
 H    3.380200     -0.7914000       2.569800    
 H   0.2520000       2.508300      -1.128100    
 H   0.5515000      -2.232200     -0.3127000    
 H   -2.122300       3.059500     -0.8115000    
 H    2.756500     -0.3467000      -2.245500    
 H   -4.239100      -1.106300      0.3209000    
 H   -1.058900      -3.964900      0.2905000    
 H   -3.451600      -3.405900      0.6091000    
 H   -5.490000       1.960000       1.124600    
 H   -3.908500       2.711700       1.424500    
 H   -4.194300      0.9991000       1.868700    


%chk=000044759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044759

0 1
O -4.157579 0.976784 0.485076
N 2.342409 0.129673 0.126044
N 1.651425 0.505915 -2.203213
C 3.775713 -0.181251 -0.166530
C 1.986180 0.354269 1.564919
C 1.414984 0.386129 -0.907640
C -0.037641 0.527745 -0.508074
C 4.580644 0.991422 -0.795534
C 3.933719 -1.507521 -0.952388
C 2.700980 1.600119 2.146748
C 2.225543 -0.897938 2.442405
C -0.830481 -0.610778 -0.102750
C -2.227730 -0.428559 0.231299
C -0.650781 1.777655 -0.616079
C -2.800735 0.893697 0.136777
C -0.291884 -1.939997 -0.050548
C -2.025821 1.977827 -0.290935
C -3.018124 -1.556207 0.622614
C -1.084516 -3.027671 0.323790
C -2.457131 -2.835069 0.672209
C -4.805840 2.284126 0.369208
H 4.229597 -0.353865 0.826477
H 0.903198 0.560662 1.575786
H 5.661924 0.767158 -0.731654
H 4.342732 1.164999 -1.858794
H 4.389998 1.931871 -0.250726
H 3.497828 -2.345245 -0.379323
H 5.005473 -1.722049 -1.118523
H 3.435595 -1.477010 -1.936462
H 2.349986 1.788446 3.178149
H 3.797707 1.462947 2.188258
H 2.484637 2.496304 1.538089
H 1.680637 -1.767675 2.038483
H 1.857035 -0.708682 3.467281
H 3.298148 -1.157138 2.522136
H -0.057906 2.625256 -0.974898
H 0.754209 -2.091600 -0.336137
H -2.453042 2.979724 -0.388108
H 2.654867 0.441443 -2.457830
H -4.070355 -1.391981 0.870521
H -0.656509 -4.036338 0.343753
H -3.070319 -3.693851 0.966899
H -5.848088 2.117492 0.678408
H -4.778834 2.653355 -0.674281
H -4.330749 3.028108 1.037999


