%chk=000041780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041780

0 1
 O    3.391400      -1.489100      8.9999998E-04
 O    3.444000      0.7056000      1.9999999E-04
 O   -3.407900      -1.463500      7.9999998E-04
 O   -3.446400      0.7313000      6.0000003E-04
 N   -1.394800       2.105900      6.9999998E-04
 N    2.812400     -0.3773000      5.0000002E-04
 N   -2.822600     -0.3555000      9.9999997E-05
 C   0.6984000      0.8680000     -3.0000001E-04
 C  -0.6966000      0.8745000     -6.0000003E-04
 C    1.390300     -0.3432000     -3.0000001E-04
 C   -1.399500     -0.3305000     -8.9999998E-04
 C   0.6875000      -1.548000     -5.0000002E-04
 C  -0.7073000      -1.541600     -8.9999998E-04
 C    1.451100       2.163300     -3.9999999E-04
 H    1.189500      -2.512300     -3.9999999E-04
 H   -1.217400      -2.501700     -8.9999998E-04
 H   0.8278000       3.056600     -6.2899999E-02
 H    2.019900       2.292900      0.9272000    
 H    2.080400       2.255500     -0.8931000    
 H  -0.9657000       2.955400      0.3339000    
 H   -2.395000       2.130000     -0.1321000    


%chk=000041780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041780

0 1
O 3.377976 -1.412681 -0.702758
O 3.548840 0.397179 0.671618
O -3.435298 -1.565406 0.095959
O -3.566610 0.706455 0.120214
N -1.373851 2.131566 0.074463
N 2.861184 -0.444922 -0.024954
N -2.870446 -0.405575 0.088095
C 0.739011 0.921435 0.001482
C -0.711865 0.930190 0.039017
C 1.374470 -0.333382 -0.023908
C -1.410402 -0.330378 0.041956
C 0.680526 -1.575511 -0.045687
C -0.710882 -1.563589 -0.005869
C 1.449391 2.258442 -0.057210
H 1.247714 -2.506952 -0.091690
H -1.292344 -2.488163 -0.005750
H 1.029437 2.884307 -0.869027
H 1.337747 2.811245 0.896698
H 2.527417 2.154064 -0.230842
H -0.861170 3.008861 0.098334
H -2.401345 2.099113 0.101459


