%chk=000020419.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020419

0 1
 O  -0.1068000       2.037000      0.2888000    
 O   -3.499200      -2.061400     -0.2023000    
 N    1.969200      0.4706000      0.5070000    
 N   -1.596100      -3.837300     -1.3300000E-02
 C  -0.3576000     -0.3184000      0.2106000    
 C   -1.244100      -1.389600      8.1699997E-02
 C    1.012000     -0.5609000      0.3698000    
 C   -2.301300       1.314200      1.2500000E-02
 C   -3.187900      0.2429000     -0.1161000    
 C  -0.8537000       1.072600      0.1805000    
 C   -2.691800      -1.148000     -8.6000003E-02
 C  -0.7610000      -2.703300      0.1114000    
 C    1.489300      -1.871600      0.3990000    
 C   0.6047000      -2.940500      0.2699000    
 C   -2.784400       2.627900     -1.7300000E-02
 C   -4.557600      0.4854000     -0.2745000    
 C    3.325900      0.5620000      0.1492000    
 C   -4.150200       2.865100     -0.1751000    
 C   -5.034800       1.796100     -0.3036000    
 C    4.195500       1.363800      0.8925000    
 C    3.810600     -0.1484000     -0.9519000    
 C    5.541300       1.454900      0.5371000    
 C    5.156400     -5.7399999E-02  -1.307200    
 C    6.021600      0.7444000     -0.5627000    
 H    2.540700      -2.099300      0.5521000    
 H   0.9948000      -3.955000      0.3018000    
 H    1.620200       1.288600      0.9974000    
 H   -2.117300       3.480200      8.0499999E-02
 H   -5.269900     -0.3288000     -0.3768000    
 H   -4.524400       3.884500     -0.1981000    
 H   -6.097600       1.983500     -0.4266000    
 H   -2.594100      -3.735000     -0.1301000    
 H   -1.193800      -4.765100      1.5500000E-02
 H    3.834100       1.922200       1.752500    
 H    3.156200     -0.7602000      -1.567200    
 H    6.215100       2.079200       1.116500    
 H    5.529600     -0.6058000      -2.167200    
 H    7.069100      0.8165000     -0.8405000    


%chk=000020419-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020419

0 1
O -0.058964 2.110026 0.242829
O -3.602800 -2.139090 -0.117119
N 1.940537 0.518954 0.185342
N -1.656018 -3.825819 -0.043544
C -0.365583 -0.292019 0.088081
C -1.298223 -1.398934 0.023678
C 1.054341 -0.545316 0.126763
C -2.320898 1.326368 0.039314
C -3.234741 0.235997 -0.044876
C -0.861198 1.088311 0.124670
C -2.745313 -1.164827 -0.048122
C -0.805349 -2.749264 0.025969
C 1.508606 -1.910677 0.172547
C 0.613709 -2.967303 0.127258
C -2.814167 2.657493 0.047119
C -4.628437 0.491415 -0.120696
C 3.348961 0.519098 0.023927
C -4.197423 2.901307 -0.031121
C -5.108464 1.813969 -0.115140
C 4.094298 1.498902 0.738467
C 4.032871 -0.348076 -0.874184
C 5.490692 1.594093 0.573794
C 5.432803 -0.251201 -1.023183
C 6.172310 0.713175 -0.299552
H 2.576074 -2.113200 0.289176
H 0.986193 -3.997310 0.183565
H 1.431568 1.437495 0.296928
H -2.089025 3.473882 0.114816
H -5.304762 -0.366483 -0.182526
H -4.573567 3.930172 -0.026726
H -6.185201 2.006704 -0.175142
H -2.668044 -3.600434 -0.097974
H -1.291463 -4.776239 -0.035420
H 3.568601 2.172343 1.424779
H 3.469603 -1.056614 -1.489367
H 6.048909 2.353072 1.133105
H 5.944276 -0.920071 -1.724648
H 7.257992 0.785701 -0.422984


