%chk=000130095.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130095

0 1
 O  -0.7976000      0.7026000       1.385400    
 N    1.393300      0.6666000     -0.5162000    
 N    4.086800      0.9501000      0.2057000    
 N    6.208600     -0.1168000      0.1448000    
 C   -2.459000      0.5811000     -0.3096000    
 C   -1.013600      0.2374000      4.5699999E-02
 C   -3.433400     -0.1191000      0.6471000    
 C   -2.674400       2.100500     -0.2933000    
 C   7.6000001E-03  0.9403000     -0.8796000    
 C   -4.883700      0.2512000      0.3451000    
 C   -4.125900       2.467300     -0.5934000    
 C   -5.092100       1.762400      0.3537000    
 C  -0.7781000      -1.275600     -7.7999998E-03
 C    1.712700       1.172500      0.8259000    
 C    2.329300       1.142900      -1.532600    
 C    3.131300       1.736300      0.9755000    
 C    3.742400      0.6673000      -1.187400    
 C  -0.9875000      -1.931000      -1.198300    
 C  -0.3671000      -1.917400       1.136500    
 C  -0.7732000      -3.308300      -1.247400    
 C  -0.1529000      -3.294900       1.087400    
 C    5.282300      0.5749000      0.7172000    
 C  -0.3559000      -3.990400     -0.1044000    
 H   -2.686900      0.2388000      -1.328300    
 H   -3.218200      0.1513000       1.688400    
 H   -3.348700      -1.208900      0.5776000    
 H   -2.063900       2.599700      -1.051300    
 H   -2.423800       2.542900      0.6760000    
 H  -0.1193000       2.028300     -0.8512000    
 H  -0.1728000      0.6364000      -1.918700    
 H   -5.545200     -0.2154000       1.083900    
 H   -5.166400     -0.1510000     -0.6356000    
 H   -4.365400       2.193300      -1.628400    
 H   -4.257600       3.552400     -0.5131000    
 H   -6.124100       1.994100      6.7599997E-02
 H   -4.948900       2.144700       1.371800    
 H    1.601000      0.3565000       1.547900    
 H    1.075300       2.011400       1.123900    
 H    2.300000       2.237600      -1.612300    
 H    2.067700      0.7412000      -2.519200    
 H  -0.8769000       1.668300       1.413000    
 H    3.166700       2.774200      0.6206000    
 H    3.394200       1.759500       2.040100    
 H    3.811900     -0.4141000      -1.360600    
 H    4.461100       1.157200      -1.854700    
 H   -1.308600      -1.419900      -2.099800    
 H  -0.1994000      -1.414900       2.082500    
 H  -0.9305000      -3.849800      -2.175600    
 H   0.1718000      -3.826500       1.977200    
 H    5.443400      0.9146000       1.754000    
 H  -0.1888000      -5.062900     -0.1427000    
 H    6.994100     -0.2391000      0.7934000    


%chk=000130095-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130095

0 1
O -0.904838 0.703518 1.613004
N 1.371964 1.203229 -0.340887
N 4.146135 0.734828 0.316497
N 6.135698 -0.532049 0.149130
C -2.551264 0.766456 -0.266736
C -1.063765 0.458196 0.156801
C -3.550668 -0.184603 0.446070
C -2.965219 2.245645 -0.026077
C -0.040084 1.390279 -0.614231
C -5.016029 0.087474 0.031806
C -4.432117 2.513024 -0.447088
C -5.412545 1.561211 0.273555
C -0.699115 -1.011233 -0.075829
C 1.958723 1.719934 0.899311
C 2.205239 0.318195 -1.180718
C 3.464037 1.989122 0.696383
C 3.350686 -0.311420 -0.364738
C -0.911185 -1.608436 -1.346878
C -0.098800 -1.787033 0.944939
C -0.532103 -2.946155 -1.591635
C 0.281569 -3.127209 0.702054
C 5.499925 0.560192 0.525191
C 0.069769 -3.713502 -0.566250
H -2.624262 0.582092 -1.361335
H -3.436992 -0.053506 1.540740
H -3.289494 -1.235633 0.225355
H -2.304705 2.940846 -0.577742
H -2.867236 2.485226 1.055235
H -0.308333 2.441781 -0.367249
H -0.220627 1.265223 -1.701380
H -5.692863 -0.588680 0.589518
H -5.144548 -0.151188 -1.045145
H -4.526609 2.370519 -1.543887
H -4.693065 3.569128 -0.239052
H -6.448699 1.745523 -0.071046
H -5.392824 1.771294 1.363117
H 1.823483 1.039902 1.770557
H 1.460584 2.678128 1.160330
H 2.642200 0.872745 -2.043846
H 1.594466 -0.505961 -1.592508
H -0.990259 1.678088 1.765706
H 3.584919 2.765267 -0.089909
H 3.902017 2.380802 1.634909
H 2.935979 -1.022530 0.377685
H 4.038078 -0.880326 -1.014826
H -1.374964 -1.031746 -2.156657
H 0.055398 -1.330534 1.925866
H -0.703651 -3.388114 -2.579894
H 0.745564 -3.712599 1.504320
H 5.959812 1.432095 1.036815
H 0.368147 -4.750898 -0.754756
H 7.144173 -0.496805 0.381805


