%chk=000048440.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048440

0 1
 O   0.6760000      -1.587600     -0.9783000    
 O    4.300200       1.047800     -0.2770000    
 O   0.1775000       2.769000      0.6629000    
 O   -5.285900     -0.1024000     -0.1805000    
 N   0.2651000      0.5102000     -1.2600000E-02
 N    2.193200       1.889900      8.1400000E-02
 C    2.503300     -0.5173000      0.1710000    
 C    3.376300      -1.579300     -0.5175000    
 C    2.494800     -0.7897000       1.685700    
 C    1.064000     -0.6095000     -0.3363000    
 C    3.105200      0.8568000     -6.1000001E-02
 C    3.486500      -1.311800      -2.002300    
 C    1.935300      -2.162400       1.986200    
 C   0.8111000       1.789300      0.2614000    
 C   -1.173000      0.3515000     -5.6699999E-02
 C   -1.734900     -0.8898000      0.2149000    
 C   -1.974800       1.442000     -0.3698000    
 C   -3.120800      -1.042800      0.1726000    
 C   -3.360600       1.289000     -0.4119000    
 C   -3.933600      4.6599999E-02 -0.1408000    
 C   -5.805100      -1.399500      0.1088000    
 H    2.961400      -2.587000     -0.4063000    
 H    4.383900      -1.601000     -8.3300002E-02
 H    1.893400     -4.1999999E-02   2.217600    
 H    3.509100     -0.7095000       2.097500    
 H    2.522100      -1.266600      -2.513700    
 H    4.030200     -0.3922000      -2.233500    
 H    4.051300      -2.125900      -2.471600    
 H    1.850300      -2.279400       3.073100    
 H   0.9351000      -2.326200       1.580200    
 H    2.592400      -2.968700       1.649500    
 H    2.580000       2.829500      9.8499998E-02
 H   -1.148600      -1.751800      0.5145000    
 H   -1.586200       2.409800     -0.6654000    
 H   -3.500700      -2.031800      0.4051000    
 H   -3.988500       2.136600     -0.6728000    
 H   -5.473300      -2.139400     -0.6274000    
 H   -6.895300      -1.336300      2.9300001E-02
 H   -5.576700      -1.704300       1.135800    


%chk=000048440-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048440

0 1
O 0.615108 -1.734285 -0.666501
O 4.314353 1.163114 0.357057
O -0.033535 2.725957 0.615726
O -5.358324 -0.178760 -0.617541
N 0.237473 0.444049 0.080368
N 2.118242 1.870773 0.468248
C 2.567436 -0.567410 0.228518
C 3.461800 -1.388861 -0.742322
C 2.673919 -1.129851 1.715541
C 1.090572 -0.674211 -0.189221
C 3.090689 0.870058 0.327161
C 3.481659 -0.846921 -2.187049
C 2.314168 -2.618674 1.886951
C 0.714785 1.739551 0.411151
C -1.203669 0.276690 -0.077831
C -1.897702 -0.593147 0.784044
C -1.895845 0.973201 -1.095170
C -3.288733 -0.780586 0.639342
C -3.281101 0.800088 -1.243599
C -3.982371 -0.078905 -0.378743
C -6.135432 -1.071341 0.247288
H 3.090539 -2.427154 -0.748375
H 4.486606 -1.387098 -0.328423
H 2.029407 -0.512705 2.373552
H 3.719392 -0.955225 2.033521
H 2.472145 -0.863789 -2.636554
H 3.875831 0.184440 -2.229130
H 4.134235 -1.475774 -2.818656
H 2.338739 -2.878401 2.961179
H 1.308135 -2.850893 1.497549
H 3.034137 -3.275454 1.369839
H 2.452411 2.825939 0.635868
H -1.354723 -1.133880 1.566038
H -1.355852 1.655152 -1.758897
H -3.810100 -1.463504 1.315777
H -3.841002 1.331827 -2.018051
H -5.785867 -2.118456 0.161855
H -7.169735 -0.994950 -0.118089
H -6.088088 -0.746800 1.304878


