%chk=000059068.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059068

0 1
 O    3.801600      0.7407000      -1.635700    
 N  -0.2109000      0.8212000      0.3215000    
 N    3.989600     -0.8841000      1.6000001E-02
 C    2.257700      0.8623000      0.1451000    
 C   0.9564000      0.1996000     -0.3203000    
 C    2.232500       2.368200     -0.1093000    
 C   0.9736000       2.986500      0.4887000    
 C  -0.2839000       2.256400      1.4800000E-02
 C   -1.441700      0.1466000     -9.0300001E-02
 C    3.415100      0.2417000     -0.5754000    
 C   -2.648700      0.6963000      0.6706000    
 C    3.499200      -1.441900       1.273800    
 C    5.120600      -1.585100     -0.5782000    
 C   -3.921700     -6.6000000E-03  0.2714000    
 C    4.201900     -0.8252000       2.465600    
 C    4.662400      -2.680800      -1.518500    
 C   -4.674000      0.4929000     -0.7812000    
 C   -4.319100      -1.141100      0.9629000    
 C   -5.851400     -0.1572000      -1.150800    
 C   -5.496500      -1.791100      0.5931000    
 C   -6.262600      -1.299300     -0.4638000    
 H    2.352700      0.7535000       1.228000    
 H   0.8735000      0.2725000      -1.414500    
 H   0.9734000     -0.8718000     -9.2699997E-02
 H    3.123100       2.844300      0.3185000    
 H    2.246800       2.586400      -1.185000    
 H   0.9150000       4.044900      0.2101000    
 H    1.032200       2.947800       1.584000    
 H   -1.108200       2.747500      0.5378000    
 H  -0.4262000       2.423100      -1.061000    
 H   -1.356800     -0.9273000      0.1224000    
 H   -1.598800      0.2413000      -1.173500    
 H   -2.815700       1.762800      0.4896000    
 H   -2.496700      0.5945000       1.753500    
 H    2.421200      -1.323900       1.383200    
 H    3.673000      -2.524700       1.267100    
 H    5.717200     -0.8619000      -1.145600    
 H    5.762400      -1.989300      0.2118000    
 H    5.276100      -1.037000       2.440300    
 H    4.087400      0.2621000       2.498900    
 H    3.801900      -1.238400       3.396900    
 H    5.524600      -3.180600      -1.970400    
 H    4.069300      -3.435100     -0.9914000    
 H    4.042000      -2.275100      -2.324600    
 H   -4.361200       1.379900      -1.324700    
 H   -3.728300      -1.532900       1.785900    
 H   -6.447500      0.2252000      -1.974300    
 H   -5.816600      -2.680700       1.127600    
 H   -7.179100      -1.805800     -0.7519000    


%chk=000059068-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059068

0 1
O 3.868632 0.579906 -1.658312
N -0.258442 1.030979 0.160926
N 3.978839 -0.942795 0.090319
C 2.241378 0.883231 0.143431
C 0.908878 0.352533 -0.456626
C 2.333312 2.413825 -0.073938
C 1.076636 3.110953 0.489443
C -0.211898 2.494943 -0.091594
C -1.538461 0.406610 -0.254475
C 3.422939 0.170529 -0.534652
C -2.729995 0.792518 0.664821
C 3.503634 -1.531102 1.363613
C 5.126679 -1.613255 -0.571636
C -3.981152 0.001989 0.313272
C 4.241111 -0.979769 2.604683
C 4.683075 -2.743413 -1.524800
C -4.840486 0.427561 -0.733308
C -4.294063 -1.203629 0.993184
C -5.979666 -0.328210 -1.091113
C -5.432637 -1.963158 0.640421
C -6.279823 -1.528074 -0.405036
H 2.218765 0.687184 1.230950
H 0.943461 0.503296 -1.565911
H 0.813064 -0.735229 -0.273324
H 3.246793 2.810107 0.408454
H 2.438108 2.605984 -1.157933
H 1.103757 4.192244 0.253890
H 1.050457 3.009999 1.592140
H -1.093049 2.966932 0.377730
H -0.261855 2.709672 -1.192434
H -1.410356 -0.691823 -0.206228
H -1.800447 0.653247 -1.315850
H -2.935201 1.875730 0.573930
H -2.422666 0.601794 1.709439
H 2.416561 -1.374660 1.467079
H 3.653163 -2.626060 1.299480
H 5.674493 -0.845047 -1.142642
H 5.794996 -2.007259 0.217586
H 5.331245 -1.138323 2.520341
H 4.063692 0.104298 2.719955
H 3.889880 -1.487899 3.521838
H 5.564880 -3.232502 -1.978431
H 4.099005 -3.518275 -0.994005
H 4.061903 -2.328194 -2.336321
H -4.618618 1.361724 -1.265007
H -3.643796 -1.543938 1.809048
H -6.633817 0.018514 -1.899419
H -5.661354 -2.888618 1.181534
H -7.164754 -2.113772 -0.678515


