%chk=000157515.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157515

0 1
 O   -2.261000       2.550400     -0.4633000    
 N    1.465900     -0.5397000      0.6263000    
 N   -1.347400      0.4000000     -0.4478000    
 C   0.7507000     -0.2220000      -1.770100    
 C    1.906200     -0.1529000     -0.7293000    
 C  -0.3681000      -1.912600     -0.3908000    
 C   0.1691000      -1.633100      -1.791200    
 C   0.7933000      -1.850400      0.6242000    
 C  -0.4143000      0.7502000      -1.526900    
 C    2.568700       1.237400     -0.7043000    
 C   -1.452700     -0.9212000     -5.5000000E-03
 C    2.582200     -0.5454000       1.583100    
 C    3.732100       1.277200      0.2816000    
 C    3.267800      0.8181000       1.657600    
 C   -2.504100      -1.321200      0.7303000    
 C   -2.220300       1.407700     -2.9000000E-03
 C   -3.590200     -0.3848000       1.136900    
 C   -3.077900       1.042200       1.192100    
 H    1.176200      3.9999999E-04  -2.757500    
 H    2.672600     -0.8705000      -1.060700    
 H  -0.7764000      -2.931900     -0.3820000    
 H   0.9408000      -2.364100      -2.061800    
 H  -0.6279000      -1.716800      -2.540800    
 H   0.4028000      -2.060900       1.628400    
 H    1.512600      -2.647100      0.3892000    
 H  -5.6600001E-02   1.773200      -1.374000    
 H   -1.027900      0.7934000      -2.437900    
 H    1.847500       2.009200     -0.4123000    
 H    2.932100       1.497900      -1.705200    
 H    3.321300      -1.310900       1.312500    
 H    2.209700     -0.7937000       2.584400    
 H    4.138700       2.292700      0.3419000    
 H    4.539900      0.6257000     -7.3399998E-02
 H    4.125000      0.7647000       2.338300    
 H    2.572600       1.557100       2.075700    
 H   -2.595200      -2.357600       1.042300    
 H   -4.420000     -0.4724000      0.4260000    
 H   -3.973900     -0.6678000       2.123400    
 H   -2.465300       1.193200       2.089800    
 H   -3.924300       1.735400       1.248800    


%chk=000157515-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157515

0 1
O -1.919982 2.610481 -0.260836
N 1.443863 -0.547063 0.595064
N -1.331942 0.361494 -0.462484
C 0.740755 -0.259371 -1.802710
C 1.900930 -0.152717 -0.768161
C -0.377448 -1.971787 -0.400993
C 0.180013 -1.698855 -1.817068
C 0.798631 -1.880379 0.608991
C -0.431144 0.721844 -1.592328
C 2.544417 1.252470 -0.739940
C -1.492819 -0.998982 -0.040959
C 2.532429 -0.485786 1.604362
C 3.694582 1.331088 0.286676
C 3.170799 0.912817 1.677653
C -2.582744 -1.369494 0.691726
C -2.045069 1.410880 0.136533
C -3.624951 -0.346168 1.099285
C -2.933832 1.018775 1.317074
H 1.178318 -0.016343 -2.791776
H 2.694339 -0.875360 -1.118932
H -0.792048 -2.994689 -0.339910
H 0.978938 -2.428248 -2.053501
H -0.610825 -1.804664 -2.584090
H 0.428273 -2.074523 1.632836
H 1.533157 -2.693396 0.354484
H -0.091641 1.753951 -1.413069
H -1.034943 0.749839 -2.523328
H 1.777773 2.002567 -0.468361
H 2.907753 1.498399 -1.757145
H 3.335565 -1.237069 1.370095
H 2.102345 -0.763616 2.585594
H 4.112925 2.354730 0.317606
H 4.518364 0.652259 -0.018108
H 3.990131 0.903692 2.421852
H 2.410520 1.640356 2.021342
H -2.686903 -2.414872 0.999219
H -4.407959 -0.253666 0.315883
H -4.143287 -0.659866 2.023519
H -2.287459 0.963185 2.216828
H -3.655524 1.837189 1.472175


