%chk=000017444.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017444

0 1
 O  -0.5381000       1.897200     -0.4199000    
 N    3.467400     -0.1608000      0.2674000    
 N    4.382100     -0.4385000     -0.7921000    
 C    1.067400     -9.3699999E-02  0.8538000    
 C  -0.3258000     -0.3517000      0.3828000    
 C    2.114400     -0.3965000     -0.2249000    
 C   -1.067900      0.6557000     -0.2339000    
 C  -0.8842000      -1.616800      0.5654000    
 C   -2.368200      0.3978000     -0.6680000    
 C   -2.184600      -1.874500      0.1313000    
 C   -2.926600     -0.8673000     -0.4854000    
 C  -0.7359000       2.849100      0.6235000    
 H    1.181000      0.9379000       1.205000    
 H    1.267500     -0.7123000       1.740000    
 H    1.914600      0.2297000      -1.105100    
 H    2.011300      -1.443100     -0.5419000    
 H  -0.3170000      -2.411800       1.042300    
 H   -2.952000       1.177500      -1.149900    
 H   -2.619200      -2.859800      0.2729000    
 H    3.567500      0.8127000      0.5529000    
 H   -3.938900      -1.068100     -0.8235000    
 H  -0.5747000       2.410100       1.613400    
 H   -1.750800       3.254300      0.5629000    
 H  -2.3800001E-02   3.666600      0.4816000    
 H    4.284800      0.2692000      -1.519800    
 H    5.333000     -0.3443000     -0.4378000    


%chk=000017444-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017444

0 1
O -0.243431 1.818310 0.384574
N 3.594915 -0.210928 0.278481
N 4.573077 0.030469 -0.744100
C 1.236940 -0.475861 1.017133
C -0.217500 -0.566691 0.593667
C 2.191696 -0.322485 -0.194093
C -0.956682 0.608259 0.262581
C -0.880452 -1.810606 0.494151
C -2.308500 0.531752 -0.149504
C -2.230283 -1.905936 0.078772
C -2.940685 -0.730270 -0.241604
C -0.965250 3.063095 0.116249
H 1.376983 0.396861 1.684519
H 1.530411 -1.381721 1.577983
H 1.874999 0.562403 -0.798947
H 2.114555 -1.214914 -0.844304
H -0.324467 -2.719990 0.753511
H -2.872767 1.435603 -0.398732
H -2.718633 -2.883843 0.012976
H 3.694022 0.505786 1.010887
H -3.987130 -0.786194 -0.562016
H -1.828199 3.183964 0.799752
H -1.316302 3.109276 -0.933295
H -0.233769 3.864763 0.296871
H 4.261658 0.665478 -1.498356
H 4.958095 -0.847980 -1.104155


