%chk=000017480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017480

0 1
 O   8.6999997E-02   1.271600      -1.006400    
 N    4.524400      0.5127000     -0.2013000    
 N    1.015100      0.6667000       1.030200    
 C    3.182400      2.0300001E-02  0.1077000    
 C   -1.347800      0.2202000      0.6546000    
 C    2.348100       1.122300      0.7439000    
 C    5.189800      0.9801000       1.014000    
 C    5.316200     -0.5333000     -0.8476000    
 C  -2.8400000E-02  0.7800000      0.1148000    
 C   -2.553100       1.003400      0.1495000    
 C   -1.487300      -1.284400      0.4522000    
 C    6.562500       1.552000      0.7032000    
 C    4.639400      -1.031400      -2.113300    
 C   -3.000900       2.081800      0.8835000    
 C   -2.227300      -2.011100       1.360600    
 C   -3.158000      0.6093000      -1.025700    
 C  -0.8693000      -1.869200     -0.6326000    
 C   -4.104300       2.799000      0.4211000    
 C   -2.355200      -3.387700       1.175500    
 C   -4.261300       1.326800      -1.488000    
 C  -0.9974000      -3.245800     -0.8177000    
 C   -4.734400       2.421600     -0.7646000    
 C   -1.740300      -4.005000      8.6400002E-02
 H    2.650500     -0.2830000     -0.8004000    
 H    3.216300     -0.8563000      0.7689000    
 H   -1.311900      0.3695000       1.745800    
 H    2.296200       2.002800      9.3000002E-02
 H    2.729700       1.434400       1.718900    
 H    4.649100       1.814500       1.468400    
 H    5.277100      0.1881000       1.768300    
 H    6.286800     -0.1399000      -1.166600    
 H    5.506200      -1.379200     -0.1749000    
 H   0.8457000      0.2260000       1.929600    
 H    7.299700      0.7740000      0.4823000    
 H    6.528800       2.258800     -0.1331000    
 H    6.939400       2.097800       1.575700    
 H    3.791700      -1.691300      -1.904200    
 H    4.302700     -0.2049000      -2.748600    
 H    5.352400      -1.621700      -2.700400    
 H   -2.515100       2.385000       1.805900    
 H   -2.710700      -1.538400       2.210200    
 H   -2.806300     -0.2217000      -1.625900    
 H  -0.2961000      -1.307000      -1.361700    
 H   -4.472000       3.652200      0.9837000    
 H   -2.934300      -3.978700       1.879000    
 H   -4.749200       1.036400      -2.413900    
 H  -0.5214000      -3.726400      -1.667500    
 H   -5.592500       2.981000      -1.125400    
 H   -1.840800      -5.076700     -5.8400001E-02


%chk=000017480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017480

0 1
O 0.429148 0.248581 -1.081618
N 4.644213 0.471276 0.160185
N 0.964197 0.923247 1.070619
C 3.295998 0.073308 0.635457
C -1.316084 0.050398 0.672600
C 2.345042 1.298925 0.707820
C 5.741974 0.167537 1.115418
C 4.930309 0.033536 -1.232018
C 0.090089 0.407936 0.134012
C -2.399492 0.836241 -0.086264
C -1.565627 -1.469764 0.658429
C 6.989876 1.050079 0.912885
C 3.996633 0.672491 -2.278082
C -3.173493 1.802801 0.602623
C -2.332171 -2.039687 1.707477
C -2.643724 0.616937 -1.465747
C -1.090460 -2.315004 -0.376686
C -4.177251 2.538011 -0.068742
C -2.622361 -3.421706 1.725655
C -3.643178 1.353281 -2.137840
C -1.377356 -3.698756 -0.356199
C -4.415225 2.314482 -1.443475
C -2.144613 -4.258568 0.690816
H 2.836686 -0.678332 -0.039126
H 3.361565 -0.395651 1.637941
H -1.370987 0.376223 1.730028
H 2.322455 1.786569 -0.280234
H 2.725392 2.029253 1.443378
H 5.352884 0.349147 2.135097
H 6.040816 -0.912230 1.075049
H 5.972221 0.316127 -1.468111
H 4.871571 -1.082981 -1.318419
H 0.661314 1.009429 2.041379
H 7.477845 0.866696 -0.061027
H 6.710132 2.117250 0.959523
H 7.736681 0.842781 1.702074
H 2.936899 0.408862 -2.109545
H 4.088694 1.773291 -2.251982
H 4.272887 0.324136 -3.290905
H -2.992653 1.982026 1.670498
H -2.713405 -1.395406 2.510226
H -2.041466 -0.115818 -2.010408
H -0.486944 -1.886727 -1.183912
H -4.769240 3.280481 0.478501
H -3.217656 -3.843510 2.543549
H -3.820393 1.177619 -3.204987
H -1.000746 -4.340209 -1.161246
H -5.192279 2.882180 -1.967788
H -2.366817 -5.331587 0.701823


