%chk=000093610.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093610

0 1
 O   -1.065900      -1.484900     -0.7986000    
 N   0.4366000      0.2265000     -0.3941000    
 N    2.348600      -1.183600      0.1756000    
 C    2.298300       1.662000     -0.1250000    
 C    1.640200     -0.4519000     -0.8963000    
 C    2.515400      0.7307000      -1.320000    
 C   0.7716000       1.591400      3.2699998E-02
 C    3.029900       1.051600       1.083000    
 C    2.556900     -0.3790000       1.391900    
 C  -0.8280000     -0.3329000     -0.4329000    
 C    1.733500      -2.467500      0.4944000    
 C   -1.948400      0.5711000      1.4700000E-02
 C   -3.282700     -0.1520000     -7.1900003E-02
 C   -4.449600      0.6982000      0.4363000    
 C   -5.756200     -7.9700001E-02  0.4102000    
 H    2.648800       2.681500     -0.3099000    
 H    1.406000      -1.103500      -1.745100    
 H    2.129300       1.190400      -2.238600    
 H    3.564100      0.4625000      -1.486800    
 H   0.4253000       1.774500       1.053900    
 H   0.2718000       2.289300     -0.6477000    
 H    2.881800       1.681100       1.968100    
 H    4.107700       1.038000      0.8760000    
 H    3.302500     -0.8647000       2.033100    
 H    1.630500     -0.3237000       1.979200    
 H    2.377800      -3.037700       1.173100    
 H    1.614600      -3.077100     -0.4079000    
 H   0.7548000      -2.358700      0.9729000    
 H   -1.967800       1.463100     -0.6207000    
 H   -1.761500      0.8805000       1.048800    
 H   -3.478700     -0.4497000      -1.110200    
 H   -3.238800      -1.078200      0.5162000    
 H   -4.548900       1.598200     -0.1814000    
 H   -4.250000       1.028100       1.462400    
 H   -5.697900     -0.9670000       1.048600    
 H   -5.999800     -0.4030000     -0.6069000    
 H   -6.577100      0.5464000      0.7736000    


%chk=000093610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093610

0 1
O -1.001706 -1.535737 -0.886320
N 0.431052 0.221815 -0.386717
N 2.417902 -1.190800 0.183477
C 2.304672 1.680094 -0.145779
C 1.682136 -0.480838 -0.879366
C 2.507614 0.732007 -1.357614
C 0.761126 1.603231 0.056742
C 3.085585 1.079763 1.055441
C 2.595403 -0.350003 1.396088
C -0.827478 -0.353925 -0.443378
C 1.885202 -2.531826 0.515119
C -1.988387 0.521641 0.055149
C -3.355518 -0.178646 -0.054318
C -4.514611 0.705817 0.456723
C -5.887013 0.006787 0.346927
H 2.628338 2.717669 -0.337747
H 1.396342 -1.197925 -1.663592
H 2.078855 1.154111 -2.284739
H 3.561538 0.462526 -1.527002
H 0.472914 1.773505 1.112721
H 0.244450 2.359520 -0.568161
H 2.975351 1.716915 1.954002
H 4.160730 1.055141 0.795396
H 3.323180 -0.847000 2.064421
H 1.632457 -0.278166 1.963876
H 2.605787 -3.055952 1.169864
H 1.759965 -3.120701 -0.408613
H 0.897323 -2.498054 1.028558
H -2.001718 1.471299 -0.520648
H -1.794556 0.813327 1.109060
H -3.534656 -0.465888 -1.107718
H -3.324759 -1.128230 0.512750
H -4.537206 1.655155 -0.117971
H -4.327231 0.986950 1.514014
H -5.901549 -0.929549 0.935829
H -6.113004 -0.256957 -0.703378
H -6.703830 0.653226 0.717602


