%chk=000117091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117091

0 1
 O   -2.257500      -3.821200      0.3352000    
 O    1.847200       2.130600      0.7260000    
 N   0.7081000      0.2931000     -0.1953000    
 N   -4.571900       2.168200     -0.1542000    
 C   -1.684900     -0.2126000     -4.3299999E-02
 C   -3.018200      0.2621000     -3.2900002E-02
 C  -0.6302000      0.7050000     -0.1783000    
 C   -3.257400       1.640300     -0.1579000    
 C   -1.445600      -1.590800      8.1799999E-02
 C  -0.8864000       2.070900     -0.3014000    
 C   -4.072800     -0.6554000      0.1021000    
 C   -2.197400       2.537600     -0.2912000    
 C   -2.505600      -2.488100      0.2151000    
 C   -3.816600      -2.021200      0.2253000    
 C    1.829600       1.004000      0.2421000    
 C    3.130100      0.3058000      6.6299997E-02
 C    4.170300      0.6127000      0.9179000    
 C    3.253400     -0.6261000     -0.9427000    
 C    5.390500     -4.2900000E-02  0.7528000    
 C    4.473400      -1.281800      -1.107500    
 C    5.542000     -0.9902000     -0.2597000    
 H  -0.4416000      -2.004300      9.1799997E-02
 H  -9.8300003E-02   2.802200     -0.4485000    
 H   -5.115200     -0.3526000      0.1169000    
 H   -2.381000       3.604100     -0.3971000    
 H   0.8555000     -0.6902000     -0.3904000    
 H   -4.645500      -2.716300      0.3289000    
 H   -4.700700       3.167900     -0.2461000    
 H   -5.387800       1.583200     -6.0800001E-02
 H    4.067500       1.342800       1.714900    
 H    2.458800     -0.8555000      -1.645300    
 H    6.222300      0.1832000       1.413500    
 H    4.594500      -2.013500      -1.901000    
 H   -1.296800      -3.969800      0.3077000    
 H    6.492500      -1.499500     -0.3891000    


%chk=000117091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117091

0 1
O -2.303538 -3.883396 0.240743
O 1.912512 2.306199 0.521997
N 0.719820 0.356267 -0.038381
N -4.677745 2.174959 -0.180277
C -1.693468 -0.159402 0.016924
C -3.072134 0.288782 -0.066028
C -0.628392 0.818089 -0.015411
C -3.364678 1.707510 -0.114707
C -1.443372 -1.570159 0.129718
C -0.947278 2.186866 -0.051665
C -4.110801 -0.698925 -0.082812
C -2.292804 2.621936 -0.090694
C -2.492152 -2.495422 0.121554
C -3.844853 -2.063350 -0.000684
C 1.890969 1.080424 0.179990
C 3.163674 0.288254 0.003240
C 4.314517 0.741859 0.698071
C 3.271755 -0.849049 -0.842322
C 5.540029 0.055267 0.578591
C 4.501414 -1.533306 -0.965535
C 5.636720 -1.088776 -0.249343
H -0.422129 -1.947580 0.275105
H -0.136522 2.916989 -0.036093
H -5.159870 -0.394420 -0.167170
H -2.499806 3.698345 -0.110283
H 0.849936 -0.635806 -0.236769
H -4.640615 -2.812690 -0.014007
H -4.853374 3.174586 -0.219742
H -5.478395 1.554687 -0.139634
H 4.220722 1.639576 1.317685
H 2.420881 -1.180634 -1.451676
H 6.419672 0.411114 1.126071
H 4.577748 -2.400873 -1.630381
H -1.344106 -4.106124 0.335918
H 6.589963 -1.620095 -0.346392


