%chk=000027317.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027317

0 1
 O  -0.7293000     -0.9769000     -0.2671000    
 N   -4.322600      -1.753000     -0.2612000    
 C   0.1366000     -0.1822000      0.5462000    
 C    1.572900     -0.4703000      0.1541000    
 C  -0.2756000       1.274800      0.5581000    
 C    1.723000       1.182200      -1.866300    
 C    2.256800      0.1147000     -0.9322000    
 C   0.2234000       1.458700      -1.909300    
 C  -0.2654000       2.048400     -0.6148000    
 C    2.245200      -1.445000      0.9277000    
 C    3.594800     -0.2739000      -1.175600    
 C  -0.7004000       1.865700       1.760000    
 C  -0.6815000       3.388200     -0.5672000    
 C    3.561000      -1.818800      0.6610000    
 C   -2.066900     -0.9223000      0.2010000    
 C    4.239500      -1.228800     -0.3925000    
 C   -2.939800      -1.765600     -0.7145000    
 C   -1.110200       3.198400       1.796600    
 C   -1.102700       3.959000      0.6324000    
 C    4.231400      -2.848400       1.504100    
 C   -4.422300      -2.253700       1.112000    
 C   -5.167800      -2.551200      -1.152500    
 H   1.9600000E-02 -0.5486000       1.576500    
 H    2.251100       2.116900      -1.631200    
 H    2.016400      0.9023000      -2.887600    
 H  -0.3441000      0.5572000      -2.163000    
 H   2.6100000E-02   2.163000      -2.728000    
 H    1.726500      -1.923100       1.757900    
 H    4.149000      0.1790000      -1.996400    
 H  -0.7204000       1.288200       2.681300    
 H  -0.6729000       3.999600      -1.466200    
 H   -2.066500      -1.304300       1.226400    
 H   -2.455000      0.1018000      0.1975000    
 H    5.267500      -1.497800     -0.6184000    
 H   -2.869000      -1.358700      -1.731800    
 H   -2.536700      -2.786100     -0.7691000    
 H   -1.437100       3.640200       2.733200    
 H   -1.421100       4.996900      0.6582000    
 H    3.540300      -3.662800       1.747000    
 H    5.086500      -3.296700      0.9869000    
 H    4.588700      -2.397600       2.435300    
 H   -5.473900      -2.400600       1.388300    
 H   -4.042800      -1.529400       1.839300    
 H   -3.908200      -3.212300       1.247900    
 H   -5.117900      -2.165100      -2.176800    
 H   -6.218000      -2.489300     -0.8464000    
 H   -4.872400      -3.606700      -1.166300    


%chk=000027317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027317

0 1
O -0.763827 -0.876470 -0.236964
N -4.347844 -1.960065 -0.254721
C 0.166782 -0.066299 0.607396
C 1.582101 -0.417928 0.152570
C -0.202703 1.414905 0.611469
C 1.695728 1.208694 -1.931274
C 2.244582 0.136834 -0.983341
C 0.177668 1.512419 -1.901691
C -0.242023 2.165689 -0.597948
C 2.253840 -1.395829 0.933244
C 3.557861 -0.324217 -1.268584
C -0.550074 2.038606 1.832578
C -0.631176 3.524985 -0.547383
C 3.562104 -1.848225 0.649327
C -2.148043 -0.878062 0.268544
C 4.210598 -1.290362 -0.479900
C -2.896699 -1.936893 -0.555012
C -0.927724 3.400028 1.875686
C -0.972173 4.145884 0.677195
C 4.248906 -2.876109 1.531923
C -4.658136 -2.515902 1.078402
C -5.124281 -2.629257 -1.318356
H 0.053688 -0.434257 1.651799
H 2.243148 2.154645 -1.734654
H 1.965831 0.909460 -2.963395
H -0.379114 0.568992 -2.046481
H -0.058407 2.185614 -2.746919
H 1.724505 -1.823445 1.795331
H 4.076764 0.088974 -2.143434
H -0.524143 1.452498 2.760327
H -0.664819 4.103319 -1.479059
H -2.142757 -1.122268 1.353992
H -2.625543 0.113014 0.134915
H 5.224382 -1.616517 -0.742945
H -2.767589 -1.679014 -1.622297
H -2.410039 -2.932462 -0.397765
H -1.190431 3.869275 2.830257
H -1.271570 5.200005 0.694128
H 3.542369 -3.653446 1.874498
H 5.074396 -3.378701 0.998088
H 4.679771 -2.403915 2.436431
H -5.748347 -2.470632 1.250481
H -4.170226 -1.920282 1.868747
H -4.332162 -3.582050 1.196228
H -4.938247 -2.129882 -2.285696
H -6.203611 -2.549519 -1.094998
H -4.877518 -3.715835 -1.436238


