%chk=000049535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049535

0 1
 O    1.241400      -4.038600      5.9000002E-03
 N  -0.3127000      0.5940000      0.1268000    
 N    3.080400       2.012300     -0.7814000    
 C   0.9319000       1.360000      0.2723000    
 C    1.653700       1.051500       1.592200    
 C    1.873800       1.184600     -0.9348000    
 C    2.947800       1.854100       1.684700    
 C    3.815800       1.658500      0.4407000    
 C  -0.3806000     -0.7770000      4.6999998E-02
 C   -1.567700       1.150700      5.0999999E-02
 C   -1.727200      -1.116900     -8.4200002E-02
 C   -2.477600      0.1017000     -8.1299998E-02
 C    3.943900       1.880200      -1.954900    
 C   0.6416000      -1.732500      8.0600001E-02
 C   -1.960800       2.493500      8.9900002E-02
 C   -2.071600      -2.481100     -0.1869000    
 C   -3.851100      0.4086000     -0.1796000    
 C   0.2755000      -3.077100     -2.3700001E-02
 C   -3.326600       2.772100     -9.3000000E-03
 C   -1.060500      -3.448200     -0.1554000    
 C   -4.259600       1.746600     -0.1420000    
 C    2.590200      -3.597100      0.1425000    
 H   0.6540000       2.419000      0.3053000    
 H    1.897200     -6.6999998E-03   1.708400    
 H    1.004900       1.306700       2.439500    
 H    2.161300      0.1431000      -1.100300    
 H    1.332900       1.501000      -1.836900    
 H    2.710100       2.919000       1.803100    
 H    3.506700       1.552200       2.577800    
 H    4.700800       2.298700      0.5394000    
 H    4.168100      0.6193000      0.3975000    
 H    4.816400       2.536900      -1.866000    
 H    3.411300       2.188600      -2.861300    
 H    4.298500      0.8527000      -2.095400    
 H    1.667500      -1.419100      0.1848000    
 H   -1.253900       3.308800      0.1927000    
 H   -3.109100      -2.786200     -0.2902000    
 H   -4.590900     -0.3801000     -0.2838000    
 H   -3.664700       3.804800      1.7700000E-02
 H   -1.329000      -4.498800     -0.2348000    
 H   -5.316900       1.986400     -0.2175000    
 H    2.754600      -3.088900       1.099000    
 H    2.905900      -2.990000     -0.7130000    
 H    3.222700      -4.491100      0.1466000    


%chk=000049535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049535

0 1
O 1.090118 -4.272436 0.048967
N -0.246928 0.580345 0.112660
N 3.101609 2.139332 -0.770931
C 0.988381 1.373279 0.277610
C 1.727535 1.079850 1.606704
C 1.940685 1.235022 -0.938004
C 2.987900 1.969198 1.709176
C 3.872879 1.819721 0.454797
C -0.371328 -0.826024 0.053760
C -1.542313 1.145970 0.024109
C -1.763117 -1.162618 -0.069537
C -2.507578 0.086369 -0.088784
C 3.948113 2.185103 -1.979270
C 0.630932 -1.827160 0.095852
C -1.935455 2.501881 0.036691
C -2.147208 -2.523376 -0.145585
C -3.883190 0.399740 -0.188789
C 0.209168 -3.174330 0.018527
C -3.314637 2.790960 -0.064031
C -1.167247 -3.526735 -0.100214
C -4.281287 1.753355 -0.175421
C 2.519916 -3.990806 0.165502
H 0.682489 2.434437 0.303069
H 2.021805 0.014415 1.653523
H 1.044793 1.262317 2.456680
H 2.263499 0.168683 -1.055672
H 1.395957 1.516173 -1.857647
H 2.691346 3.031174 1.806485
H 3.571436 1.700958 2.610171
H 4.733515 2.511548 0.513003
H 4.287551 0.775519 0.414051
H 4.754171 2.927507 -1.840203
H 3.341348 2.497537 -2.847658
H 4.422491 1.201220 -2.225690
H 1.689157 -1.574885 0.177536
H -1.209669 3.317564 0.118365
H -3.203538 -2.797309 -0.239865
H -4.630678 -0.396913 -0.275250
H -3.643832 3.836188 -0.056875
H -1.425178 -4.587988 -0.155867
H -5.343027 2.011763 -0.252005
H 2.751954 -3.456468 1.108457
H 2.887147 -3.397608 -0.695708
H 3.008715 -4.976272 0.170012


