%chk=000057608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057608

0 1
 O    4.895100     -0.2345000       1.904900    
 O    3.566600      -2.058200       2.387100    
 O   0.1101000      -3.007500      -1.384700    
 N    3.402500     -0.9694000      0.3236000    
 N   -7.297900       1.017500      0.3630000    
 N   -5.490900     -0.3815000      2.4100000E-02
 N   -5.239400       1.968000      0.2677000    
 C    2.376700      -1.745200     -0.3264000    
 C    4.059200      0.1171000     -0.2118000    
 C   0.9817000      -1.194000     -5.1800001E-02
 C    4.948000      0.5398000      0.7555000    
 C    3.903000      -1.184000       1.597500    
 C  -0.1252000      -2.008500     -0.7091000    
 C    3.946300      0.7460000      -1.434300    
 C    5.778600       1.621700      0.5532000    
 C   -1.541400      -1.579800     -0.5144000    
 C    5.686400       2.280100     -0.6763000    
 C    4.778000       1.845500      -1.661700    
 C   -7.632300       2.396300      0.5510000    
 C   -4.152600     -0.7880000     -0.1575000    
 C   -5.951700      0.8680000      0.2129000    
 C   -6.245700       3.049800      0.4920000    
 C   -1.793400     -0.4646000      0.2517000    
 C   -2.540800      -2.315500      -1.109500    
 C   -3.117100     -6.3299999E-02  0.4327000    
 C   -3.864400      -1.914100     -0.9287000    
 C    6.560700       3.458500     -0.9508000    
 H    2.579600      -1.795600      -1.402400    
 H    2.437600      -2.771800      5.5799998E-02
 H   0.8153000      -1.186900       1.031900    
 H   0.9289000     -0.1658000     -0.4282000    
 H    3.246700      0.4164000      -2.192900    
 H    6.471500       1.944900       1.322000    
 H    4.714400       2.367600      -2.613600    
 H   -8.114900       2.563900       1.518200    
 H   -8.283400       2.763000     -0.2478000    
 H   -6.188800       3.775700     -0.3259000    
 H   -6.017700       3.570300       1.428200    
 H   -1.022300      0.1226000      0.7367000    
 H   -2.338400      -3.194200      -1.713900    
 H   -7.981600      0.2710000      0.3455000    
 H   -6.173400      -1.111400     -0.1604000    
 H   -3.295900      0.7901000       1.078200    
 H   -4.662200      -2.486600      -1.395000    
 H    6.027300       4.384500     -0.7143000    
 H    7.478000       3.421800     -0.3533000    
 H    6.864200       3.484300      -2.002900    


%chk=000057608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057608

0 1
O 4.890396 0.081562 2.093390
O 3.416769 -1.614783 2.881113
O 0.271138 -2.865725 -1.317826
N 3.459207 -0.899381 0.597686
N -7.597325 0.956154 -0.026163
N -5.562844 -0.188329 -0.568969
N -5.596302 1.865713 0.723468
C 2.386747 -1.751497 0.063620
C 4.194349 0.074375 -0.113302
C 1.013371 -1.050037 0.121622
C 5.080396 0.670354 0.818891
C 3.841424 -0.917620 1.946188
C -0.059221 -1.838661 -0.643355
C 4.190822 0.486799 -1.454590
C 5.979826 1.677205 0.472385
C -1.470274 -1.367434 -0.590575
C 5.991444 2.111184 -0.885721
C 5.102595 1.511753 -1.818611
C -8.056715 2.084370 0.825295
C -4.197772 -0.536871 -0.554677
C -6.188047 0.885997 0.070157
C -6.688311 2.777782 1.191710
C -1.877451 -0.211496 0.132004
C -2.462946 -2.100510 -1.302683
C -3.217179 0.212162 0.155031
C -3.802616 -1.697339 -1.286274
C 6.950966 3.206552 -1.320379
H 2.631301 -2.034752 -0.973523
H 2.361909 -2.679878 0.657757
H 0.707380 -0.914762 1.176221
H 1.085723 -0.033403 -0.315812
H 3.520312 0.041821 -2.196075
H 6.651526 2.114890 1.217012
H 5.122552 1.853812 -2.859459
H -8.586220 1.716237 1.726422
H -8.731860 2.758172 0.270574
H -6.585533 3.751347 0.677697
H -6.590300 2.959345 2.276332
H -1.140260 0.378902 0.686725
H -2.146806 -2.988467 -1.859894
H -8.175081 0.119604 -0.125302
H -6.161909 -0.762649 -1.163873
H -3.534626 1.107757 0.694827
H -4.555279 -2.277854 -1.835903
H 6.764322 4.148335 -0.770678
H 8.002338 2.921007 -1.128747
H 6.853066 3.422259 -2.397937


