%chk=000059948.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059948

0 1
 O   -1.628800       1.251400      -1.637900    
 N  -0.8939000       1.849800      0.4845000    
 N   -3.709700      -2.001600      0.2348000    
 C  -0.4477000     -0.4051000     -0.4241000    
 C   -1.323700      -1.419100      0.2251000    
 C   -1.055600      -1.484200      -1.250000    
 C   -2.685300      -1.050700      0.6904000    
 C    1.012300     -0.4007000     -0.1981000    
 C   -1.045300      0.9699000     -0.5878000    
 C    1.877100      0.1512000      -1.152700    
 C    1.551300     -0.9505000      0.9727000    
 C    3.255700      0.1531000     -0.9404000    
 C    2.930000     -0.9484000       1.185000    
 C  -0.8105000       3.293300      0.3025000    
 C  -0.8081000       1.388200       1.867700    
 C    3.782200     -0.3965000      0.2283000    
 H  -0.9139000      -2.237700      0.8050000    
 H  -0.4240000      -2.292700      -1.604300    
 H   -1.857200      -1.248700      -1.940100    
 H   -3.017300     -5.7700001E-02  0.3786000    
 H   -2.697100      -1.054500       1.785900    
 H    1.483500      0.5800000      -2.071100    
 H   0.9191000      -1.376900       1.746000    
 H   -3.810000      -1.934100     -0.7773000    
 H   -4.612100      -1.730200      0.6240000    
 H    3.919300      0.5821000      -1.685500    
 H    3.340200      -1.373500       2.096400    
 H  -0.8493000       3.547700     -0.7601000    
 H   0.1337000       3.651300      0.7224000    
 H   -1.650900       3.765200      0.8190000    
 H   0.1364000       1.743500       2.291900    
 H  -0.8557000      0.3123000       1.993300    
 H   -1.636400       1.834100       2.427300    
 H    4.855500     -0.3944000      0.3939000    


%chk=000059948-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059948

0 1
O -1.455958 1.412579 -1.770104
N -0.866434 1.980603 0.406516
N -3.740731 -2.162114 0.564983
C -0.443234 -0.346742 -0.387027
C -1.460630 -1.377338 0.170160
C -1.060036 -1.422177 -1.306978
C -2.873120 -0.965075 0.566007
C 1.036461 -0.450477 -0.082712
C -0.962235 1.072689 -0.644626
C 1.938860 0.394057 -0.786227
C 1.573850 -1.384622 0.839927
C 3.330802 0.308444 -0.572492
C 2.968686 -1.476373 1.051011
C -1.237591 3.386727 0.174732
C -0.374392 1.660681 1.754938
C 3.854893 -0.630191 0.347485
H -1.063764 -2.176215 0.806800
H -0.397182 -2.223165 -1.645436
H -1.767770 -1.045776 -2.053160
H -3.220101 -0.149368 -0.111445
H -2.866995 -0.553429 1.594793
H 1.542086 1.111782 -1.514233
H 0.906592 -2.043771 1.406234
H -3.774985 -2.633012 -0.345287
H -4.676136 -2.006532 0.953002
H 4.007580 0.967436 -1.128422
H 3.361583 -2.206405 1.768094
H -1.540160 3.495587 -0.877608
H -0.378987 4.053255 0.386293
H -2.081538 3.681450 0.828038
H 0.655926 2.037475 1.909815
H -0.372089 0.575340 1.923224
H -1.035351 2.131496 2.507331
H 4.935900 -0.700918 0.511674


