%chk=000096124.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096124

0 1
 O    2.825500      0.3771000       1.010000    
 O    3.311600      -2.278900     -0.7229000    
 O    4.658500     -0.2872000      -2.007900    
 O    4.870500       2.235300       1.593900    
 O   -5.924000       1.824500      -1.489400    
 N   0.6174000     -0.1011000      0.2816000    
 N   -1.022400       1.373400     -5.7399999E-02
 N  -0.7005000      -2.106600      0.6605000    
 N   -3.946400      0.5455000      4.0600002E-02
 N   -3.091200      -1.639800      0.5090000    
 C    2.608500      -1.051300     -0.9063000    
 C    1.975300     -0.6300000      0.4209000    
 C    3.563500      9.0000004E-02  -1.201200    
 C    3.997900      0.5150000      0.1907000    
 C    4.505500       1.944400      0.2562000    
 C  -0.5520000     -0.7996000      0.3969000    
 C   0.2811000       1.199700      8.9999996E-03
 C   -1.555400      0.1319000      0.1831000    
 C   -2.866200     -0.3299000      0.2464000    
 C   -2.010300      -2.435100      0.6970000    
 C   -5.315000      0.1244000      9.4099998E-02
 C   -6.232000       1.298200     -0.2048000    
 H    1.891100      -1.209600      -1.718100    
 H    1.917900      -1.459000       1.135800    
 H    3.014300      0.8990000      -1.698500    
 H    4.762400     -0.1608000      0.5957000    
 H    3.732600       2.660500     -4.1299999E-02
 H    5.383600       2.087700     -0.3795000    
 H    2.653800      -2.959100     -0.4983000    
 H    5.233900      0.4898000      -2.108300    
 H    1.020300       1.975700     -0.1359000    
 H    4.082800       2.102600       2.148700    
 H   -3.726000       1.516200     -0.1538000    
 H   -2.227600      -3.477300      0.9049000    
 H   -5.554300     -0.2811000       1.083400    
 H   -5.483100     -0.6630000     -0.6503000    
 H   -6.098800       2.100300      0.5282000    
 H   -7.282000      0.9903000     -0.1932000    
 H   -6.057800       1.112300      -2.137800    


%chk=000096124-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000096124

0 1
O 2.858000 1.010459 0.620536
O 3.676277 -1.855275 1.776360
O 4.395969 -1.956627 -0.777550
O 4.000437 2.581640 -1.480168
O -6.372028 1.434228 0.973094
N 0.695514 0.205797 1.313058
N -1.378858 0.960344 1.958677
N 0.130056 -0.553374 -1.003428
N -3.768328 0.767417 0.022454
N -2.246107 -0.188550 -1.531530
C 2.624476 -1.392567 0.878132
C 2.143150 -0.016627 1.399561
C 3.230265 -1.089006 -0.528796
C 3.720328 0.367677 -0.417467
C 3.570993 1.198508 -1.693548
C -0.158394 -0.009977 0.220035
C -0.095534 0.798442 2.316937
C -1.429986 0.456800 0.645073
C -2.506807 0.351389 -0.289295
C -0.974515 -0.602530 -1.808598
C -4.907465 0.706421 -0.898107
C -6.196323 0.440905 -0.105179
H 1.800995 -2.129223 0.834477
H 2.424298 0.082915 2.462492
H 2.447493 -1.198372 -1.299048
H 4.766926 0.388058 -0.058245
H 2.516051 1.151607 -2.037822
H 4.234202 0.800521 -2.480524
H 4.404915 -2.209139 1.189658
H 4.131271 -2.723337 -1.343059
H 0.326258 1.082917 3.278987
H 3.488644 2.932684 -0.706161
H -3.933019 1.176568 0.947744
H -0.823203 -1.025086 -2.806898
H -4.717335 -0.092431 -1.635580
H -5.000797 1.658531 -1.464883
H -6.134142 -0.524257 0.422317
H -7.069324 0.426621 -0.788614
H -6.611351 2.310328 0.576609


