%chk=000114443.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114443

0 1
 O   -5.166300      0.4380000       1.416900    
 N   -5.180500      0.3436000      4.5000002E-02
 C   -4.010200     -0.4546000     -0.4166000    
 C   -2.711200      0.3079000     -0.1317000    
 C   -1.431700     -0.5273000     -0.2496000    
 C  -0.1886000      0.3299000      4.4999998E-03
 C    1.094200     -0.4914000     -0.1450000    
 C    2.335700      0.3755000      7.6600000E-02
 C   -4.070800      -1.849000      0.1872000    
 C    3.649500     -0.4052000     -3.0999999E-02
 C   -6.462000     -0.3218000     -0.3828000    
 C   -5.123300       1.731000     -0.5378000    
 C    4.891500      0.4772000      0.1186000    
 C    6.205000     -0.3057000      2.2800000E-02
 C    7.447500      0.5827000      9.7199999E-02
 C    8.721300     -0.2309000     -7.4500002E-02
 H   -4.119500     -0.5471000      -1.505700    
 H   -2.733100      0.7428000      0.8757000    
 H   -2.618100       1.147300     -0.8320000    
 H   -1.441000      -1.342000      0.4830000    
 H   -1.376700     -0.9763000      -1.248300    
 H  -0.2361000      0.7592000       1.012700    
 H  -0.1700000       1.167500     -0.7033000    
 H    1.134500     -0.9370000      -1.146200    
 H    1.089400      -1.316800      0.5771000    
 H    2.280400      0.8449000       1.066700    
 H    2.341100       1.189100     -0.6594000    
 H   -4.973900      -2.398800     -9.0000004E-02
 H   -3.246100      -2.469300     -0.1793000    
 H   -4.008300      -1.829100       1.280300    
 H    3.686900     -0.9136000      -1.002400    
 H    3.666200      -1.188100      0.7372000    
 H   -6.627200      -1.213000      0.2256000    
 H   -7.277500      0.3809000     -0.1862000    
 H   -6.399500     -0.5470000      -1.450200    
 H   -4.314000       2.290700     -6.3699998E-02
 H   -4.997600       1.646400      -1.620200    
 H   -6.069200       2.226200     -0.2980000    
 H    4.876000       1.250600     -0.6594000    
 H    4.853100      0.9974000       1.083500    
 H    6.217700     -0.8620000     -0.9229000    
 H    6.240300      -1.050100      0.8279000    
 H    7.403400       1.349400     -0.6849000    
 H    7.473900       1.102800       1.061500    
 H    8.737800     -0.7345000      -1.046300    
 H    9.598000      0.4216000     -1.5400000E-02
 H    8.809600     -0.9907000      0.7085000    


%chk=000114443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114443

0 1
O -5.340170 0.654728 1.394836
N -5.296091 0.394554 -0.004666
C -4.038205 -0.521357 -0.369797
C -2.751803 0.238505 0.021430
C -1.444265 -0.554440 -0.212166
C -0.186991 0.315483 0.019327
C 1.134052 -0.455277 -0.199033
C 2.393905 0.398592 0.068238
C -4.193470 -1.846141 0.390772
C 3.714148 -0.370115 -0.163953
C -6.583628 -0.312200 -0.421446
C -5.222260 1.718195 -0.758717
C 4.975684 0.474133 0.125594
C 6.295226 -0.294471 -0.111334
C 7.557401 0.546641 0.186790
C 8.870634 -0.230039 -0.050751
H -4.081782 -0.672162 -1.469186
H -2.857088 0.528363 1.084897
H -2.676524 1.173618 -0.566730
H -1.395657 -1.428434 0.466102
H -1.423596 -0.956927 -1.247673
H -0.210772 0.720226 1.052397
H -0.215238 1.194267 -0.658881
H 1.166178 -0.841006 -1.239846
H 1.151176 -1.346836 0.462581
H 2.366668 0.772534 1.113190
H 2.373995 1.297635 -0.583165
H -4.971660 -2.500178 -0.038456
H -3.248496 -2.411911 0.376921
H -4.455176 -1.598081 1.436580
H 3.747882 -0.731556 -1.213331
H 3.726646 -1.277108 0.476514
H -6.698119 -1.193040 0.221604
H -7.408744 0.384640 -0.213185
H -6.568099 -0.598051 -1.490248
H -4.409323 2.304819 -0.314501
H -5.059617 1.564689 -1.842406
H -6.171649 2.243567 -0.577485
H 4.962492 1.383849 -0.511050
H 4.943750 0.831093 1.176498
H 6.331443 -0.646874 -1.163729
H 6.307300 -1.206972 0.521325
H 7.545700 1.457679 -0.446193
H 7.519705 0.899156 1.237931
H 8.945335 -0.569675 -1.101245
H 9.757000 0.394300 0.166344
H 8.922703 -1.127115 0.595001


