%chk=000034845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034845

0 1
 O   -3.186200      -1.771200     -0.9606000    
 N    1.138200     -0.3069000     -0.3104000    
 N    3.955200      8.8200003E-02 -5.1100001E-02
 N   -2.468600     -0.3012000      0.6810000    
 N    6.012900      0.7366000      -1.010900    
 N    5.946200     -0.3404000       1.143900    
 N   -8.622300       1.279300      0.2304000    
 C    1.735800     -6.0199998E-02   1.007400    
 C    1.882900      0.4262000      -1.341700    
 C    3.195100     -0.5207000       1.044800    
 C    3.346500     -1.9300001E-02  -1.383000    
 C  -0.2701000      8.7399997E-02 -0.3172000    
 C   -1.075600     -0.7289000      0.6831000    
 C    5.350100      0.1642000      3.0099999E-02
 C   -3.406900     -0.8717000     -0.1538000    
 C   -4.777100     -0.3062000     -5.4200001E-02
 C    7.291700     -0.2513000       1.188800    
 C    7.356200      0.7928000     -0.8998000    
 C    8.056600      0.3105000      0.1871000    
 C   -5.853300      -1.107400     -0.3751000    
 C   -4.929700       1.001700      0.3571000    
 C   -7.139800     -0.5768000     -0.2804000    
 C   -6.216400       1.532200      0.4518000    
 C   -7.321400      0.7430000      0.1330000    
 H    1.236800     -0.6239000       1.799900    
 H    1.677600       1.004900       1.269200    
 H    1.833300       1.508500      -1.160400    
 H    1.441100      0.2398000      -2.328200    
 H    3.607500     -0.2304000       2.019000    
 H    3.253600      -1.614100      0.9689000    
 H    3.419200      -1.057000      -1.733000    
 H    3.858400      0.6125000      -2.118300    
 H  -0.3832000       1.159000     -0.1029000    
 H  -0.6910000     -7.5999998E-02  -1.317900    
 H   -1.026300      -1.798600      0.4501000    
 H  -0.7537000     -0.5835000       1.716500    
 H   -2.728200      0.4009000       1.365300    
 H    7.753400     -0.6575000       2.082300    
 H    7.871600       1.251500      -1.736800    
 H    9.134900      0.3688000      0.2495000    
 H   -5.728600      -2.138100     -0.6933000    
 H   -4.096800       1.660600      0.5790000    
 H   -7.993200      -1.202200     -0.5301000    
 H   -6.344900       2.564400      0.7677000    
 H   -9.423800      0.7085000     -3.0000000E-03
 H   -8.754100       2.236900      0.5278000    


%chk=000034845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034845

0 1
O -3.036009 -1.273632 -1.281684
N 1.222709 -0.533507 -0.066438
N 4.089507 -0.544089 -0.007595
N -2.482381 -0.430363 0.804332
N 5.958391 0.172303 -1.263532
N 5.912066 0.371789 1.185326
N -8.741740 1.438616 0.156770
C 1.954569 -0.057597 1.132924
C 2.000774 -0.258263 -1.300656
C 3.330340 -0.744889 1.240804
C 3.376790 -0.952274 -1.233615
C -0.177131 -0.056057 -0.120991
C -1.109018 -0.953368 0.734341
C 5.348582 0.014063 -0.029278
C -3.380093 -0.622426 -0.238967
C -4.756591 -0.048866 -0.077642
C 7.157224 0.910629 1.136635
C 7.202468 0.715496 -1.255857
C 7.868191 1.109999 -0.070726
C -5.736884 -0.420440 -1.036500
C -5.144314 0.847622 0.955300
C -7.051415 0.062569 -0.966282
C -6.456918 1.343879 1.038213
C -7.438469 0.954579 0.078827
H 1.367107 -0.295719 2.038606
H 2.102976 1.052779 1.105445
H 2.157199 0.839210 -1.459341
H 1.439257 -0.652273 -2.166918
H 3.920753 -0.333293 2.073053
H 3.178384 -1.831354 1.401314
H 3.224060 -2.050154 -1.212437
H 4.000909 -0.688553 -2.100405
H -0.274707 1.007110 0.212683
H -0.535782 -0.106508 -1.163988
H -1.130950 -1.957987 0.278984
H -0.719993 -1.046944 1.764405
H -2.784482 0.046163 1.652481
H 7.591946 1.189413 2.104092
H 7.673819 0.835448 -2.238764
H 8.870260 1.543504 -0.087214
H -5.427428 -1.099174 -1.838229
H -4.422089 1.198464 1.703625
H -7.789631 -0.243646 -1.717576
H -6.729582 2.040576 1.840299
H -9.438888 1.167557 -0.530639
H -9.020183 2.074507 0.898412


