%chk=000024046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024046

0 1
 O   2.7000001E-03  0.1614000      -2.514500    
 N   0.9303000     -0.4012000       4.637000    
 N    3.296800       4.423100     -0.8845000    
 N    2.569700      -4.682200      -1.238400    
 C    1.077300     -8.3999997E-03 -0.3234000    
 C   0.6784000     -4.4799998E-02   1.180000    
 C    2.044500       1.181500     -0.6381000    
 C    1.844100      -1.310700     -0.7406000    
 C  -0.1324000      0.1185000      -1.291200    
 C    1.835700     -0.2213000       2.172600    
 C    1.473900       2.585200     -0.4109000    
 C    1.059500      -2.621200     -0.6088000    
 C   -1.519900      0.1491000     -0.7881000    
 C   -2.097300       1.366500     -0.4722000    
 C   -2.212600      -1.040500     -0.6440000    
 C    1.328800     -0.3214000       3.550200    
 C    2.493700       3.612000     -0.6760000    
 C    1.904700      -3.772700     -0.9608000    
 C   -3.408500       1.395400      2.9000000E-03
 C   -3.523800      -1.011800     -0.1690000    
 C   -4.121800      0.2063000      0.1544000    
 C   -5.523600      0.2373000      0.6632000    
 H  -4.3600000E-02 -0.8542000       1.348300    
 H   0.1317000      0.8702000       1.441700    
 H    2.968300       1.067000     -5.5900000E-02
 H    2.363000       1.118400      -1.689300    
 H    2.781800      -1.387100     -0.1753000    
 H    2.160200      -1.219300      -1.790600    
 H    2.526700      0.6252000       2.109500    
 H    2.404400      -1.129300       1.952000    
 H   0.6250000       2.760700      -1.077800    
 H    1.118600       2.698400      0.6177000    
 H   0.6795000      -2.754100      0.4080000    
 H   0.2095000      -2.616800      -1.293900    
 H   -1.557100       2.299800     -0.5884000    
 H   -1.775500      -1.997200     -0.9006000    
 H   -3.863000       2.350500      0.2527000    
 H   -4.069600      -1.944800     -5.6100000E-02
 H   -5.528500      0.1607000       1.755000    
 H   -6.028400       1.165300      0.3739000    
 H   -6.112100     -0.5892000      0.2507000    


%chk=000024046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024046

0 1
O 0.055483 0.037810 -2.407297
N 1.611238 0.375606 4.729134
N 3.345388 4.393680 -1.556704
N 2.280876 -4.836492 -0.730106
C 1.148390 0.054357 -0.253015
C 0.899154 0.187120 1.278148
C 2.124625 1.159550 -0.783168
C 1.822896 -1.323494 -0.601712
C -0.144013 0.101654 -1.154805
C 2.143287 -0.124150 2.164679
C 1.570590 2.608848 -0.678407
C 0.996708 -2.568658 -0.169256
C -1.561561 0.097642 -0.658141
C -2.048956 0.805309 0.475385
C -2.504128 -0.614316 -1.457568
C 1.862975 0.146294 3.585625
C 2.544421 3.601043 -1.164747
C 1.701533 -3.824578 -0.477362
C -3.421178 0.787983 0.797465
C -3.866352 -0.648963 -1.114671
C -4.353494 0.049314 0.023521
C -5.819216 -0.003963 0.405530
H 0.070513 -0.471253 1.594359
H 0.579513 1.215377 1.521085
H 3.088282 1.095470 -0.244406
H 2.330339 0.944942 -1.846192
H 2.825837 -1.368330 -0.138801
H 1.971097 -1.357670 -1.695033
H 3.010758 0.490577 1.859060
H 2.451642 -1.181798 2.070052
H 0.646295 2.703625 -1.280123
H 1.312966 2.871163 0.365461
H 0.781014 -2.553225 0.916130
H 0.018886 -2.580305 -0.687216
H -1.381307 1.412601 1.090775
H -2.143187 -1.125086 -2.356486
H -3.775169 1.360331 1.662769
H -4.567525 -1.214630 -1.739302
H -6.014582 -0.850267 1.092692
H -6.138618 0.917168 0.922744
H -6.464321 -0.145989 -0.478696


