%chk=000077979.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077979

0 1
 O   -4.348800      0.2352000      -1.641000    
 O   -6.419100      -1.211100     -0.4199000    
 N    5.088000     -0.4521000     -0.3174000    
 N   -4.316800     -0.7271000      0.4788000    
 N    6.067700      -2.251000      -1.401900    
 N    6.781200      -1.806300      0.7166000    
 N   -5.856700      -1.943400       1.683900    
 C    2.569400      0.9107000      0.4450000    
 C    1.553500       2.039100      0.2498000    
 C    3.971600       1.468000      0.7074000    
 C   0.1613000       1.503900      3.2200001E-02
 C    5.011000      0.3681000      0.8925000    
 C  -0.2711000       1.234000      -1.257800    
 C  -0.6657000       1.290300       1.125200    
 C   -2.401300      0.5195000     -0.3688000    
 C   -1.559700      0.7391000      -1.459500    
 C   -1.954200      0.7955000      0.9234000    
 C   -3.744900      4.1000000E-03 -0.5791000    
 C    5.935100      -1.433700     -0.3042000    
 C   -5.600500      -1.282700      0.4947000    
 H    2.267300      0.2756000       1.287500    
 H    2.575500      0.2710000     -0.4460000    
 H    1.556700       2.704900       1.122600    
 H    1.844700       2.665500     -0.6033000    
 H    4.268400       2.109300     -0.1319000    
 H    3.955100       2.097800       1.604800    
 H    5.980800      0.8378000       1.096000    
 H    4.732700     -0.2465000       1.757200    
 H   0.3778000       1.398900      -2.113300    
 H  -0.3281000       1.507100       2.134800    
 H   -1.887600      0.5261000      -2.473700    
 H   -2.586000      0.6711000       1.797900    
 H   -3.754300     -0.9175000       1.302300    
 H    5.509300      -2.102700      -2.235600    
 H    6.723500      -3.024400      -1.411300    
 H    7.406800      -2.598200      0.6139000    
 H    6.814400      -1.310300       1.600000    
 H   -6.747100      -2.401100       1.848100    
 H   -5.169200      -1.991300       2.428200    


%chk=000077979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077979

0 1
O -4.153576 -0.567878 -1.745174
O -6.661135 -0.749048 -0.115750
N 5.243837 -0.300085 -0.352581
N -4.385229 -0.761631 0.586987
N 5.882407 -2.324923 -1.363153
N 6.748309 -1.848703 0.767030
N -6.014721 -1.955688 1.773629
C 2.672649 1.031841 0.472087
C 1.590868 2.102321 0.155439
C 4.080438 1.641483 0.628255
C 0.208349 1.498113 -0.022016
C 5.166728 0.565852 0.842252
C -0.146296 0.840941 -1.231832
C -0.756550 1.548710 1.016726
C -2.363637 0.282153 -0.341816
C -1.411559 0.248256 -1.393976
C -2.024935 0.949017 0.864848
C -3.701656 -0.361221 -0.589267
C 5.934260 -1.415078 -0.293803
C -5.764737 -1.138304 0.668607
H 2.391645 0.490921 1.399371
H 2.708287 0.279919 -0.338295
H 1.575293 2.853415 0.969500
H 1.891364 2.635780 -0.768458
H 4.337348 2.213014 -0.285319
H 4.095073 2.353109 1.479913
H 6.138071 1.082082 1.026426
H 4.925843 -0.011932 1.769784
H 0.579672 0.803816 -2.052943
H -0.514734 2.076766 1.946980
H -1.695436 -0.240737 -2.331839
H -2.762470 1.056417 1.670481
H -3.848223 -0.759902 1.456949
H 5.257405 -2.052121 -2.120279
H 6.720245 -2.849366 -1.612298
H 6.947349 -2.838722 0.892214
H 6.917813 -1.223965 1.549666
H -6.986142 -2.208593 1.943914
H -5.281518 -2.472828 2.255842


