%chk=000088218.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088218

0 1
 O   -1.882300       1.128700       1.140000    
 O   -3.022600       1.543400     -0.8119000    
 O    2.418100       1.532400     -0.9441000    
 O    3.722100     -0.2614000      0.7317000    
 N   -3.954800      -1.024600     -0.7750000    
 C   -2.677400     -0.7632000     -8.6099997E-02
 C   -1.547900      -1.312600     -0.9905000    
 C  -0.1361000      -1.027400     -0.5304000    
 C   -2.745900      -1.459400       1.280400    
 C   -2.579000      0.7633000      2.4000000E-02
 C   0.4929000      0.1309000     -0.9543000    
 C   0.4990000      -1.931300      0.3045000    
 C    1.795700      0.3934000     -0.5306000    
 C    1.801700      -1.668900      0.7282000    
 C    2.450100     -0.5065000      0.3107000    
 C   -1.674800       2.534300       1.312000    
 C    2.259200       2.690800     -0.1274000    
 C    4.781800     -0.7617000     -8.1299998E-02
 H   -1.651600     -0.9034000      -2.006800    
 H   -1.663900      -2.399100      -1.114900    
 H   -1.841500      -1.292400       1.874600    
 H   -3.586500      -1.080100       1.874400    
 H   -2.873600      -2.542700       1.171700    
 H   -4.083200      -2.029400     -0.8926000    
 H   -3.929600     -0.6341000      -1.716700    
 H  -1.1800000E-02  0.8333000      -1.612100    
 H   3.8000001E-03  -2.840100      0.6336000    
 H    2.305300      -2.374100       1.383900    
 H  -0.9844000       2.675800       2.147700    
 H   -2.624000       3.022600       1.550700    
 H   -1.230600       2.973800      0.4140000    
 H    2.585400       2.492000      0.8984000    
 H    1.215900       3.019100     -0.1336000    
 H    2.879200       3.490000     -0.5426000    
 H    4.738100     -0.3243000      -1.083800    
 H    4.733500      -1.853400     -0.1449000    
 H    5.731300     -0.4799000      0.3819000    


%chk=000088218-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088218

0 1
O -2.183501 1.274178 1.066393
O -2.825540 1.393431 -1.160323
O 2.375922 1.525943 -0.853441
O 3.813636 -0.448074 0.770943
N -4.113579 -1.074275 -0.660430
C -2.781170 -0.816203 -0.070907
C -1.621570 -1.434190 -0.970873
C -0.195131 -1.167257 -0.519339
C -2.741357 -1.388260 1.356955
C -2.616474 0.714837 -0.124381
C 0.464164 0.036387 -0.878637
C 0.506704 -2.102261 0.285692
C 1.778726 0.306296 -0.447724
C 1.833455 -1.853574 0.697620
C 2.486375 -0.659901 0.324291
C -1.958261 2.741896 1.037750
C 2.743948 2.428619 0.261172
C 4.816871 -0.334260 -0.314289
H -1.781206 -1.042125 -1.993216
H -1.813790 -2.524685 -0.995523
H -1.769294 -1.199196 1.837903
H -3.536409 -0.935884 1.970787
H -2.907465 -2.482395 1.320199
H -4.380639 -2.063028 -0.662252
H -4.260802 -0.607723 -1.561968
H -0.037025 0.787481 -1.500430
H 0.017559 -3.039400 0.576630
H 2.390876 -2.579635 1.298280
H -1.656078 2.996993 2.062786
H -2.886416 3.262676 0.749960
H -1.164410 2.986652 0.311684
H 3.443059 1.933691 0.959169
H 1.835282 2.747159 0.808347
H 3.220710 3.300367 -0.212526
H 4.557883 0.485193 -1.008720
H 4.884062 -1.288864 -0.869874
H 5.772484 -0.126808 0.191092


