%chk=000082057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082057

0 1
 O    2.781700       3.276600     -9.5799997E-02
 O    2.777600      -3.278900      0.1104000    
 N    1.123300     -6.0000003E-04 -8.2999999E-03
 N   -4.486900      6.0000003E-04  8.7000001E-03
 C    1.859000       1.140400      0.4996000    
 C    1.855700      -1.148100     -0.5058000    
 C  -0.2870000      3.0000001E-04 -5.7999999E-03
 C    2.090700       2.147100     -0.6144000    
 C    2.090000      -2.142600      0.6186000    
 C  -0.9828000       1.104100      0.4875000    
 C  -0.9861000      -1.102900     -0.4957000    
 C   -2.377600       1.104600      0.4913000    
 C   -2.381000      -1.102300     -0.4919000    
 C   -3.076800      1.5000000E-03  1.6000000E-03
 H    2.842700      0.8080000      0.8606000    
 H    1.419600       1.597300       1.393400    
 H    2.838500     -0.8199000     -0.8732000    
 H    1.414100      -1.614600      -1.393400    
 H    1.148700       2.502200      -1.042900    
 H    2.685200       1.719300      -1.428600    
 H    1.148600      -2.491500       1.053700    
 H    2.687700      -1.707000       1.426400    
 H  -0.5015000       1.998500      0.8666000    
 H  -0.5079000      -1.998000     -0.8767000    
 H   -2.909300       1.971500      0.8755000    
 H   -2.915500      -1.969400     -0.8721000    
 H    3.632600       2.963600      0.2558000    
 H    3.627800      -2.971000     -0.2475000    
 H   -4.991900      0.8027000      0.3614000    
 H   -4.994400     -0.7967000     -0.3512000    


%chk=000082057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082057

0 1
O 2.765105 3.459194 -0.024572
O 2.760135 -3.462369 0.024910
N 1.169316 -0.000418 -0.001485
N -4.550998 0.002026 0.003255
C 1.924832 1.158138 0.488466
C 1.922856 -1.160712 -0.490313
C -0.251958 0.000213 -0.000248
C 2.102180 2.268742 -0.580543
C 2.099129 -2.270385 0.579861
C -0.999081 1.140995 0.419733
C -1.000724 -1.139878 -0.419145
C -2.407627 1.139510 0.423777
C -2.409271 -1.137147 -0.421045
C -3.147255 0.001498 0.001955
H 2.925926 0.816133 0.821047
H 1.439710 1.600253 1.379449
H 2.924249 -0.820544 -0.823872
H 1.436558 -1.603110 -1.380497
H 1.120489 2.630173 -0.924054
H 2.652964 1.868729 -1.458479
H 1.117089 -2.630061 0.924217
H 2.650899 -1.870191 1.457105
H -0.489394 2.053025 0.745034
H -0.492308 -2.052313 -0.745321
H -2.938931 2.041223 0.753895
H -2.941871 -2.038405 -0.750321
H 3.694417 3.227966 0.228668
H 3.689600 -3.232684 -0.229179
H -5.070021 0.816302 0.315112
H -5.071216 -0.811100 -0.309608


