%chk=000045829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045829

0 1
 O   -3.884300     -0.7521000       1.420300    
 N   -2.315900      0.4378000      0.2195000    
 N   0.3275000     -0.4161000     -0.4203000    
 C   -1.289900      0.5202000       1.243000    
 C   -1.694300      0.9422000     -0.9959000    
 C  -0.7126000       1.922700       1.006100    
 C  -0.9800000       2.203600     -0.4872000    
 C  -0.2575000     -0.5859000      0.9265000    
 C  -0.6875000     -0.1366000      -1.457800    
 C    1.166700      -1.551900     -0.7855000    
 C    3.187800     -0.4297000      0.2049000    
 C    2.332800      -1.684700      0.1908000    
 C    4.390100     -0.5314000       1.138400    
 C    3.844300     -0.1340000      -1.139800    
 C   -3.531900     -0.1894000      0.3824000    
 C    5.321100      0.5814000      0.6672000    
 C    4.961500      0.8456000     -0.7960000    
 C   -4.452000     -0.1453000     -0.8096000    
 C   -5.726100     -0.8966000     -0.5069000    
 H   -1.702800      0.3936000       2.248400    
 H   -2.416400       1.163100      -1.785500    
 H   0.3482000       2.000000       1.265100    
 H   -1.255100       2.660100       1.609900    
 H   -1.643800       3.072400     -0.5727000    
 H  -6.4300001E-02   2.431300      -1.042300    
 H   0.5166000     -0.5244000       1.698100    
 H  -0.7465000      -1.565500       1.010100    
 H   -1.236600      -1.054700      -1.705400    
 H  -0.1860000      0.2098000      -2.369200    
 H   0.5866000      -2.483800     -0.7850000    
 H    1.552200      -1.429800      -1.804700    
 H    2.596100      0.4412000      0.5162000    
 H    1.999600      -1.940000       1.202400    
 H    2.943100      -2.539600     -0.1304000    
 H    4.889700      -1.501800       1.028200    
 H    4.112300     -0.4154000       2.190700    
 H    3.150700      0.2986000      -1.867200    
 H    4.272700      -1.043700      -1.578200    
 H    6.371700      0.2963000      0.7831000    
 H    5.160600       1.490300       1.258600    
 H    4.611900       1.878200     -0.9104000    
 H    5.823700      0.7161000      -1.457800    
 H   -4.680700      0.8986000      -1.048000    
 H   -3.954500     -0.6056000      -1.669400    
 H   -6.394200     -0.8711000      -1.373800    
 H   -6.261900     -0.4543000      0.3400000    
 H   -5.526500      -1.947300     -0.2696000    


%chk=000045829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045829

0 1
O -4.022321 -0.593495 1.525081
N -2.384277 0.386020 0.212186
N 0.264932 -0.579936 -0.383557
C -1.328650 0.408604 1.255427
C -1.686792 0.828144 -1.021197
C -0.658141 1.792172 1.007794
C -0.887089 2.069403 -0.518540
C -0.353996 -0.759757 0.956776
C -0.735566 -0.323029 -1.448550
C 1.217071 -1.654743 -0.754050
C 3.285792 -0.405511 0.193872
C 2.474112 -1.715405 0.143599
C 4.522530 -0.475926 1.127017
C 3.915042 0.028104 -1.156573
C -3.649689 -0.140769 0.394657
C 5.407163 0.737031 0.713186
C 5.006560 1.068686 -0.768387
C -4.576001 -0.127017 -0.835097
C -5.995943 -0.614146 -0.495907
H -1.785638 0.286265 2.249312
H -2.393082 1.061417 -1.833480
H 0.415645 1.761551 1.257450
H -1.143254 2.564831 1.629091
H -1.477025 2.990024 -0.672156
H 0.067776 2.166375 -1.061350
H 0.445353 -0.775229 1.719127
H -0.919272 -1.722072 1.035200
H -1.359769 -1.226687 -1.675977
H -0.195696 -0.045752 -2.374448
H 0.717040 -2.658527 -0.743386
H 1.531244 -1.467409 -1.799473
H 2.614807 0.409239 0.537415
H 2.190081 -2.017042 1.171883
H 3.122218 -2.529745 -0.242947
H 5.062840 -1.426611 0.939806
H 4.251505 -0.459166 2.198921
H 3.173415 0.441259 -1.863669
H 4.380235 -0.856035 -1.639728
H 6.483623 0.507501 0.809769
H 5.204297 1.604026 1.368840
H 4.598346 2.094356 -0.833639
H 5.873284 1.025099 -1.452416
H -4.612164 0.898697 -1.254305
H -4.131715 -0.767608 -1.624523
H -6.628221 -0.627729 -1.402376
H -6.467210 0.041729 0.255459
H -5.967198 -1.628785 -0.064838


