%chk=000072573.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072573

0 1
 O    2.863800       3.301700      0.3257000    
 N   -3.675700      0.2708000     -0.2348000    
 N  -4.7400001E-02 -0.4814000     -0.1677000    
 N    2.173200      -2.152700     -0.2511000    
 C   -4.866600     -0.5654000     -0.3960000    
 C   -6.133800      0.3055000     -0.3149000    
 C   -4.922100      -1.677300      0.6686000    
 C   -2.468500     -0.5370000     -0.2982000    
 C   -1.234100      0.3396000     -0.1296000    
 C   -6.170000       1.417200      -1.356700    
 C   -4.980900      -1.154500       2.098300    
 C    1.239900      2.2000000E-02 -6.8099998E-02
 C    2.363000     -0.8271000     -0.1099000    
 C    3.653300     -0.2670000     -3.1000001E-03
 C    1.429600       1.413900      7.9700001E-02
 C    2.703500       1.958800      0.1844000    
 C    3.814400       1.121200      0.1433000    
 C    4.754200      -1.133100     -4.7499999E-02
 C    4.561900      -2.499400     -0.1928000    
 C    3.262400      -2.954100     -0.2894000    
 C    1.679900       4.098200      0.3598000    
 H   -4.843800      -1.038600      -1.386800    
 H   -7.016500     -0.3310000     -0.4539000    
 H   -6.232800      0.7777000      0.6687000    
 H   -4.104000      -2.396600      0.5607000    
 H   -5.829500      -2.272100      0.4957000    
 H   -3.642300      0.9770000     -0.9685000    
 H   -2.425100      -1.276500      0.5072000    
 H   -2.410700      -1.075900      -1.252400    
 H   -1.209800       1.079500     -0.9396000    
 H   -1.295900      0.8706000      0.8288000    
 H   -5.424400       2.191900      -1.154400    
 H   -6.000700       1.020900      -2.362800    
 H   -7.151600       1.902700      -1.347600    
 H   -4.139700     -0.4957000       2.332400    
 H   -5.912900     -0.6213000       2.304100    
 H   -4.939400      -1.998200       2.796000    
 H  -0.1469000      -1.485500     -0.2716000    
 H   0.5507000       2.045800      0.1109000    
 H    4.810200       1.552400      0.2256000    
 H    5.768100     -0.7474000      3.1099999E-02
 H    5.401600      -3.183300     -0.2290000    
 H    3.050600      -4.012000     -0.4044000    
 H    1.996500       5.140000      0.4767000    
 H    1.126100       4.038700     -0.5833000    
 H    1.056100       3.856900       1.227300    


%chk=000072573-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000072573

0 1
O 3.108782 3.215534 1.014928
N -3.698926 0.066989 -0.211072
N 0.021083 -0.418836 -0.307408
N 2.143843 -1.991412 -0.859338
C -4.944413 -0.742750 -0.116935
C -6.143856 0.095954 -0.627168
C -5.164080 -1.253546 1.335596
C -2.431530 -0.683290 -0.253770
C -1.241192 0.285663 -0.110917
C -6.156635 0.305899 -2.158508
C -5.370992 -0.133869 2.377363
C 1.267424 0.131102 -0.104396
C 2.411571 -0.718334 -0.395692
C 3.748745 -0.206955 -0.197903
C 1.486664 1.446675 0.359577
C 2.821488 1.920263 0.548862
C 3.942848 1.120383 0.279618
C 4.825357 -1.106422 -0.509188
C 4.547451 -2.393548 -0.976335
C 3.185477 -2.800627 -1.139935
C 1.989056 4.104137 1.328588
H -4.871879 -1.648635 -0.774340
H -7.078201 -0.416472 -0.326590
H -6.139065 1.076329 -0.112219
H -4.292691 -1.869822 1.634593
H -6.036222 -1.938740 1.329574
H -3.749942 0.748705 -0.980053
H -2.410843 -1.400987 0.586679
H -2.306327 -1.283620 -1.192396
H -1.349982 1.114816 -0.848762
H -1.282081 0.747288 0.896269
H -5.263278 0.853790 -2.515637
H -6.185408 -0.664037 -2.689618
H -7.041275 0.890013 -2.471295
H -4.545617 0.596828 2.311153
H -6.321195 0.406269 2.213144
H -5.394583 -0.546863 3.402449
H 0.041889 -1.377142 -0.676278
H 0.633114 2.095058 0.570116
H 4.945353 1.527433 0.438724
H 5.859666 -0.768731 -0.375981
H 5.353043 -3.093791 -1.219567
H 2.943214 -3.804703 -1.506585
H 2.455649 5.037535 1.677016
H 1.371111 4.310477 0.432941
H 1.351284 3.685894 2.131597


