%chk=000105400.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105400

0 1
 O    3.123200     -0.1302000      0.3717000    
 O   -3.024900       1.933800      2.9200001E-02
 N   -2.402500     -0.3365000     -8.7499999E-02
 N  -0.8824000      -2.737300     -0.1448000    
 C   -1.009700     -0.3034000      2.6799999E-02
 C  -0.2579000      -1.478000     -6.9999998E-04
 C    1.768000     -0.1873000      0.2583000    
 C    1.131000      -1.420100      0.1151000    
 C  -0.3728000      0.9292000      0.1700000    
 C    1.016000      0.9872000      0.2857000    
 C    3.767800       1.040500     -0.1278000    
 C   -3.294500      0.7419000     -7.8299999E-02
 C    5.162500      0.6762000     -0.5903000    
 C   -4.723800      0.2839000     -0.2273000    
 H    1.724400      -2.331400      9.4499998E-02
 H  -0.8792000       1.882700      0.2078000    
 H    1.471200       1.963600      0.4238000    
 H   -2.820200      -1.256100     -0.1893000    
 H    3.236000       1.463400     -0.9894000    
 H    3.825800       1.788100      0.6710000    
 H   -1.883300      -2.827000     -0.2327000    
 H  -0.3128000      -3.573500     -0.1619000    
 H    5.691100       1.554800     -0.9708000    
 H    5.741500      0.2454000      0.2333000    
 H    5.121500     -8.1200004E-02  -1.380100    
 H   -4.850200     -0.2271000      -1.185800    
 H   -5.394800       1.146700     -0.1932000    
 H   -4.982000     -0.3980000      0.5878000    


%chk=000105400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105400

0 1
O 3.166028 -0.236915 -0.198506
O -3.184941 1.846425 0.386004
N -2.485931 -0.337910 -0.110448
N -1.029120 -2.661787 0.078884
C -1.066526 -0.207965 -0.039646
C -0.319002 -1.430045 0.011333
C 1.763972 -0.146884 -0.135150
C 1.088408 -1.387940 -0.054339
C -0.380489 1.025688 -0.073988
C 1.031338 1.064991 -0.119125
C 3.928881 1.024566 -0.254394
C -3.452016 0.649510 0.060880
C 5.406175 0.645142 -0.316310
C -4.888603 0.183520 -0.178387
H 1.682114 -2.307418 -0.015297
H -0.962663 1.949278 -0.071506
H 1.533457 2.035406 -0.149895
H -2.800368 -1.260595 -0.429666
H 3.623404 1.601708 -1.151566
H 3.706422 1.631622 0.647420
H -1.740191 -2.750925 0.808612
H -0.483575 -3.509898 -0.076297
H 6.031249 1.555551 -0.361692
H 5.696619 0.064838 0.576122
H 5.613585 0.032998 -1.210630
H -5.312664 0.745041 -1.029350
H -5.496338 0.429293 0.709189
H -4.980225 -0.896992 -0.387154


