%chk=000059148.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059148

0 1
 O   0.6596000       2.133000      4.5400001E-02
 O   -5.253700     -4.0100001E-02 -8.5000005E-03
 O   -4.233400       1.901200     -0.1766000    
 N    4.401500      0.3205000      5.8300000E-02
 N   -4.209600      0.6527000     -5.9500001E-02
 C   0.8536000      -2.010600      0.2494000    
 C    1.932500      -1.278200     -0.5402000    
 C  -0.4697000      -1.301000      0.1415000    
 C    1.996600      0.1643000     -0.1400000    
 C  -0.5333000      9.7099997E-02  2.1299999E-02
 C   0.7095000      0.9104000     -1.7400000E-02
 C   -1.661900      -2.033900      0.2172000    
 C   -1.774000      0.7434000     -4.1600000E-02
 C    3.141500      0.8124000      0.1125000    
 C   -2.951600     -1.5000000E-03  1.9400001E-02
 C   -2.896200      -1.387200      0.1507000    
 C    4.945100     -0.2228000      -1.176800    
 C    5.343500      0.5403000       1.144900    
 H    1.131100      -2.078200       1.308800    
 H   0.7679000      -3.033200     -0.1371000    
 H    1.712500      -1.335400      -1.614400    
 H    2.879500      -1.802900     -0.3787000    
 H   -1.635500      -3.115100      0.3278000    
 H   -1.805100       1.825900     -0.1394000    
 H    3.126200       1.825500      0.5044000    
 H   -3.793600      -1.998100      0.2061000    
 H    4.219500     -0.2135000      -1.997800    
 H    5.272800      -1.256300      -1.023300    
 H    5.810100      0.3666000      -1.500600    
 H    4.834800      0.5413000       2.115400    
 H    5.851700       1.501900       1.017800    
 H    6.100900     -0.2505000       1.171100    


%chk=000059148-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059148

0 1
O 0.740071 1.906908 0.829831
O -5.333864 0.162913 -0.087404
O -4.155710 2.090274 0.223303
N 4.500672 0.446339 0.065378
N -4.224795 0.812188 0.061015
C 0.735787 -2.212390 0.038409
C 1.889476 -1.400132 -0.601212
C -0.569798 -1.443282 0.007295
C 2.010565 -0.012926 0.028063
C -0.534694 -0.029656 0.184168
C 0.768725 0.704688 0.380740
C -1.819155 -2.092387 -0.155526
C -1.736899 0.713197 0.209158
C 3.175513 0.687976 0.332143
C -2.959308 0.037860 0.042701
C -3.022491 -1.363036 -0.142429
C 5.002275 -0.606285 -0.834075
C 5.540485 1.265484 0.717073
H 0.997758 -2.432457 1.094347
H 0.621852 -3.186101 -0.473271
H 1.697373 -1.321877 -1.692303
H 2.822183 -1.975137 -0.478062
H -1.846894 -3.179338 -0.292027
H -1.698992 1.794950 0.364758
H 2.993366 1.626363 0.875635
H -3.995443 -1.844474 -0.270675
H 4.276576 -0.803022 -1.636789
H 5.217328 -1.552382 -0.298346
H 5.941976 -0.259218 -1.300321
H 5.071715 2.050859 1.330096
H 6.189493 1.746766 -0.039624
H 6.177655 0.645337 1.378051


