%chk=000089780.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089780

0 1
 O   -1.743700      -2.185700      0.2701000    
 O  -0.5015000       2.017800       3.118700    
 O    3.455200       1.758600      2.1700000E-02
 N   -1.043900      0.4832000      0.8199000    
 N    3.472700     -0.5135000     -0.6073000    
 N   -2.924500       3.535900      -2.449600    
 C  -9.7900003E-02 -0.4412000      0.3253000    
 C   -1.724500      0.2341000       2.074100    
 C   -1.354400       1.684200      7.1900003E-02
 C  -0.4664000      -1.759800      5.9000000E-02
 C    1.215000     -2.5500000E-02  0.1033000    
 C  -0.8362000      0.6408000       3.237400    
 C   -2.338700       1.384300      -1.053700    
 C    2.159300     -0.9286000     -0.3850000    
 C   0.4779000      -2.662800     -0.4292000    
 C    1.790800      -2.247300     -0.6512000    
 C   -2.453800      -2.688300     -0.8597000    
 C   -2.665300       2.587600      -1.833200    
 C    4.024800      0.7578000     -0.4009000    
 C   -3.932900      -2.429200     -0.6677000    
 C    5.488000      0.7975000     -0.7641000    
 H   -2.654300      0.8159000       2.109100    
 H   -2.019100     -0.8118000       2.198700    
 H   -1.786800       2.446300      0.7335000    
 H  -0.4457000       2.144200     -0.3363000    
 H    1.450000       1.001700      0.3441000    
 H   -1.348300      0.4874000       4.192500    
 H   9.5100001E-02  6.6200003E-02   3.253900    
 H   -3.260600      0.9632000     -0.6359000    
 H   -1.925100      0.6241000      -1.726800    
 H   0.2083000      -3.695600     -0.6330000    
 H    2.516800      -2.962300      -1.030000    
 H    4.100400      -1.231000     -0.9642000    
 H   -2.272800      -3.765300     -0.9442000    
 H   -2.119800      -2.199400      -1.783300    
 H   -1.330400       2.524800       3.157800    
 H   -4.509900      -2.810100      -1.515000    
 H   -4.292000      -2.909600      0.2485000    
 H   -4.127900      -1.357700     -0.5607000    
 H    6.045300      0.1037000     -0.1284000    
 H    5.879400       1.807800     -0.6164000    
 H    5.617900      0.5172000      -1.813200    


%chk=000089780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089780

0 1
O -2.050612 -2.075224 0.067181
O -1.026784 1.611615 3.467281
O 3.162931 1.918548 -0.613763
N -1.341653 0.621455 0.559427
N 3.297931 -0.415451 -0.847206
N -1.072816 5.066609 -1.517411
C -0.364764 -0.321295 0.137937
C -2.233756 0.278914 1.693798
C -1.076036 2.061567 0.363983
C -0.699052 -1.701372 -0.104105
C 0.972025 0.088863 -0.112621
C -1.540408 0.288434 3.072871
C -1.017092 2.428154 -1.151555
C 1.953266 -0.818117 -0.580211
C 0.296705 -2.606309 -0.531092
C 1.617146 -2.177588 -0.777269
C -2.438435 -3.450984 -0.299001
C -1.038037 3.883218 -1.363577
C 3.835549 0.871268 -0.859882
C -3.948067 -3.557381 -0.096252
C 5.324432 0.938480 -1.195155
H -3.078708 0.996410 1.694276
H -2.654432 -0.725253 1.518375
H -1.917152 2.611668 0.819347
H -0.158925 2.412571 0.877362
H 1.280662 1.119237 0.064842
H -2.246479 -0.105384 3.837752
H -0.647399 -0.358016 3.055018
H -1.888091 1.974591 -1.660478
H -0.106732 2.008910 -1.616171
H 0.046247 -3.655865 -0.707384
H 2.365936 -2.895286 -1.133188
H 3.940611 -1.176199 -1.076696
H -1.895933 -4.175031 0.343636
H -2.160815 -3.639222 -1.356418
H -1.787170 2.242194 3.546360
H -4.295320 -4.569499 -0.372861
H -4.218490 -3.374060 0.957987
H -4.477693 -2.822048 -0.725458
H 5.861269 1.400371 -0.348466
H 5.464496 1.598724 -2.068159
H 5.782143 -0.042618 -1.412554


